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

Systemtic Name: (1-methylpiperidin-1-ium-1-yl)methyl 3,3-dimethyl-1-phenyl-cyclobutane-1-carboxylate Openeye Name: (1-methylpiperidin-1-ium-1-yl)methyl 3,3-dimethyl-1-phenyl-cyclobutanecarboxylate CAS Name: 3,3-dimethyl-1-phenyl-1-cyclobutanecarboxylic acid (1-methyl-1-piperidin-1-iumyl)methyl ester IUPAC Name: (1-methylpiperidin-1-ium-1-yl)methyl 3,3-dimethyl-1-phenylcyclobutane-1-carboxylate Traditional Name: 3,3-dimethyl-1-phenyl-cyclobutanecarboxylic acid (1-methylpiperidin-1-ium-1-yl)methyl ester Formula: C20H30NO2+ MolecularWeight: 316.4577

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H30NO2/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/q+1