2-(3,4-dimethoxyphenyl)ethyl-(4-methylcyclohexyl)azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-(4-methylcyclohexyl)azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-(4-methylcyclohexyl)ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-(4-methylcyclohexyl)ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-(4-methylcyclohexyl)azanium Traditional Name: homoveratryl-(4-methylcyclohexyl)ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)[NH2+]CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1CCC(CC1)[NH2+]CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H27NO2/c1-13-4-7-15(8-5-13)18-11-10-14-6-9-16(19-2)17(12-14)20-3/h6,9,12-13,15,18H,4-5,7-8,10-11H2,1-3H3/p+1