3-[1-[2-(azepan-1-yl)ethyl]-3,4-dimethyl-piperidin-1-ium-1-yl]phenol

Systemtic Name: 3-[1-[2-(azepan-1-yl)ethyl]-3,4-dimethyl-piperidin-1-ium-1-yl]phenol Openeye Name: 3-[1-[2-(azepan-1-yl)ethyl]-3,4-dimethyl-piperidin-1-ium-1-yl]phenol CAS Name: 3-[1-[2-(1-azepanyl)ethyl]-3,4-dimethyl-1-piperidin-1-iumyl]phenol IUPAC Name: 3-[1-[2-(azepan-1-yl)ethyl]-3,4-dimethylpiperidin-1-ium-1-yl]phenol Traditional Name: 3-[1-[2-(azepan-1-yl)ethyl]-3,4-dimethyl-piperidin-1-ium-1-yl]phenol Formula: C21H35N2O+ MolecularWeight: 331.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[N+](CC1C)(CCN2CCCCCC2)C3=CC(=CC=C3)O

Isomeric SMILES

CC1CC[N+](CC1C)(CCN2CCCCCC2)C3=CC(=CC=C3)O

InChI

InChI=1S/C21H34N2O/c1-18-10-14-23(17-19(18)2,20-8-7-9-21(24)16-20)15-13-22-11-5-3-4-6-12-22/h7-9,16,18-19H,3-6,10-15,17H2,1-2H3/p+1