2-(1,2-diphenylpiperidin-1-ium-1-yl)butanamide hydrochloride

Systemtic Name: 2-(1,2-diphenylpiperidin-1-ium-1-yl)butanamide hydrochloride Openeye Name: 2-(1,2-diphenylpiperidin-1-ium-1-yl)butanamide hydrochloride CAS Name: 2-(1,2-diphenyl-1-piperidin-1-iumyl)butanamide hydrochloride IUPAC Name: 2-(1,2-diphenylpiperidin-1-ium-1-yl)butanamide hydrochloride Traditional Name: 2-(1,2-diphenylpiperidin-1-ium-1-yl)butyramide hydrochloride Formula: C21H28ClN2O+ MolecularWeight: 359.91282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)[N+]1(CCCCC1C2=CC=CC=C2)C3=CC=CC=C3.Cl

Isomeric SMILES

CCC(C(=O)N)[N+]1(CCCCC1C2=CC=CC=C2)C3=CC=CC=C3.Cl

InChI

InChI=1S/C21H26N2O.ClH/c1-2-19(21(22)24)23(18-13-7-4-8-14-18)16-10-9-15-20(23)17-11-5-3-6-12-17;/h3-8,11-14,19-20H,2,9-10,15-16H2,1H3,(H-,22,24);1H/p+1