Compound C13H16N4O4

3-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-5-methoxy-1H-indole nitrate

CAS: 57000-32-5

Molecular Formula	`C13H16N4O4`
Molecular Weight	292.29 g/mol
Topological Polar Surface Area	117.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	292.11716
Heavy Atoms	21
Complexity	324.0

Chemical Identifiers

CAS Number	57000-32-5
SMILES	`COC1=CC2=C(C=C1)NC=C2CC3=NCC[NH2+]3.[N+](=O)([O-])[O-]`
InChIKey	`HKTWCBXIDJDYAU-UHFFFAOYSA-O`

📖 Product Overview

Compound C13H16N4O4 (CAS: 57000-32-5) is a chemical compound with molecular formula C13H16N4O4 and molecular weight 292.29 g/mol. Its IUPAC systematic name is 3-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-5-methoxy-1H-indole nitrate. Topological Polar Surface Area 117.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 292.11716 Heavy Atoms 21 Complexity 324.0 InChI Key: HKTWCBXIDJDYAU-UHFFFAOYSA-O. SMILES: COC1=CC2=C(C=C1)NC=C2CC3=NCC[NH2+]3.[N+](=O)([O-])[O-].

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