ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride

CAS: 3414-73-1

Molecular Formula	`C23H26ClN3O4`
Molecular Weight	443.9 g/mol
Topological Polar Surface Area	92.4 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	443.1612
Heavy Atoms	31
Complexity	608.0

Chemical Identifiers

CAS Number	3414-73-1
SMILES	`CCOC(=O)C1(CC[NH+](CC1)CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4.[Cl-]`
InChIKey	`MYVIZFHTFIPCTJ-UHFFFAOYSA-N`

📖 Product Overview

ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride (CAS: 3414-73-1) is a chemical compound with molecular formula C23H26ClN3O4 and molecular weight 443.9 g/mol. Its IUPAC systematic name is ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride. Topological Polar Surface Area 92.4 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 443.1612 Heavy Atoms 31 Complexity 608.0 InChI Key: MYVIZFHTFIPCTJ-UHFFFAOYSA-N. SMILES: CCOC(=O)C1(CC[NH+](CC1)CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4.[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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