3-(3,4-dimethyl-1-phenethyl-piperidin-1-ium-1-yl)phenol hydrochloride

Systemtic Name: 3-(3,4-dimethyl-1-phenethyl-piperidin-1-ium-1-yl)phenol hydrochloride Openeye Name: 3-(3,4-dimethyl-1-phenethyl-piperidin-1-ium-1-yl)phenol hydrochloride CAS Name: 3-(3,4-dimethyl-1-phenethyl-1-piperidin-1-iumyl)phenol hydrochloride IUPAC Name: 3-(3,4-dimethyl-1-phenethylpiperidin-1-ium-1-yl)phenol hydrochloride Traditional Name: 3-(3,4-dimethyl-1-phenethyl-piperidin-1-ium-1-yl)phenol hydrochloride Formula: C21H29ClNO+ MolecularWeight: 346.91406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[N+](CC1C)(CCC2=CC=CC=C2)C3=CC(=CC=C3)O.Cl

Isomeric SMILES

CC1CC[N+](CC1C)(CCC2=CC=CC=C2)C3=CC(=CC=C3)O.Cl

InChI

InChI=1S/C21H27NO.ClH/c1-17-11-13-22(16-18(17)2,20-9-6-10-21(23)15-20)14-12-19-7-4-3-5-8-19;/h3-10,15,17-18H,11-14,16H2,1-2H3;1H/p+1