Compound C17H24ClNO3

7-methoxy-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride

CAS: 96401-82-0

Molecular Formula	`C17H24ClNO3`
Molecular Weight	325.8 g/mol
Topological Polar Surface Area	40.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	325.14447
Heavy Atoms	22
Complexity	354.0

Chemical Identifiers

CAS Number	96401-82-0
SMILES	`COC1=CC2=C(C=C1)OCCC(C2=O)C[NH+]3CCCCC3.[Cl-]`
InChIKey	`KQTUMGCYBHTSTM-UHFFFAOYSA-N`

📖 Product Overview

Compound C17H24ClNO3 (CAS: 96401-82-0) is a chemical compound with molecular formula C17H24ClNO3 and molecular weight 325.8 g/mol. Its IUPAC systematic name is 7-methoxy-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride. Topological Polar Surface Area 40.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 325.14447 Heavy Atoms 22 Complexity 354.0 InChI Key: KQTUMGCYBHTSTM-UHFFFAOYSA-N. SMILES: COC1=CC2=C(C=C1)OCCC(C2=O)C[NH+]3CCCCC3.[Cl-].

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