2-(3,4-dimethoxyphenyl)ethyl-[(1R,3S)-3-methylcyclohexyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1R,3S)-3-methylcyclohexyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1R,3S)-3-methylcyclohexyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1R,3S)-3-methylcyclohexyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1R,3S)-3-methylcyclohexyl]azanium Traditional Name: homoveratryl-[(1R,3S)-3-methylcyclohexyl]ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH2+]CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@H]1CCC[C@H](C1)[NH2+]CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H27NO2/c1-13-5-4-6-15(11-13)18-10-9-14-7-8-16(19-2)17(12-14)20-3/h7-8,12-13,15,18H,4-6,9-11H2,1-3H3/p+1/t13-,15+/m0/s1