(1-methylpiperidin-1-ium-1-yl)methyl 3,3-dimethyl-1-phenyl-cyclobutane-1-carboxylate hydrochloride

Systemtic Name: (1-methylpiperidin-1-ium-1-yl)methyl 3,3-dimethyl-1-phenyl-cyclobutane-1-carboxylate hydrochloride Openeye Name: (1-methylpiperidin-1-ium-1-yl)methyl 3,3-dimethyl-1-phenyl-cyclobutanecarboxylate hydrochloride CAS Name: 3,3-dimethyl-1-phenyl-1-cyclobutanecarboxylic acid (1-methyl-1-piperidin-1-iumyl)methyl ester hydrochloride IUPAC Name: (1-methylpiperidin-1-ium-1-yl)methyl 3,3-dimethyl-1-phenylcyclobutane-1-carboxylate hydrochloride Traditional Name: 3,3-dimethyl-1-phenyl-cyclobutanecarboxylic acid (1-methylpiperidin-1-ium-1-yl)methyl ester hydrochloride Formula: C20H31ClNO2+ MolecularWeight: 352.91864

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C1)(C2=CC=CC=C2)C(=O)OC[N+]3(CCCCC3)C)C.Cl

Isomeric SMILES

CC1(CC(C1)(C2=CC=CC=C2)C(=O)OC[N+]3(CCCCC3)C)C.Cl

InChI

InChI=1S/C20H30NO2.ClH/c1-19(2)14-20(15-19,17-10-6-4-7-11-17)18(22)23-16-21(3)12-8-5-9-13-21;/h4,6-7,10-11H,5,8-9,12-16H2,1-3H3;1H/q+1;