(3,4-dimethoxyphenyl)methyl-[(1S,3S)-3-methylcyclohexyl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(1S,3S)-3-methylcyclohexyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(1S,3S)-3-methylcyclohexyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(1S,3S)-3-methylcyclohexyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(1S,3S)-3-methylcyclohexyl]azanium Traditional Name: [(1S,3S)-3-methylcyclohexyl]-veratryl-ammonium Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH2+]CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@H]1CCC[C@@H](C1)[NH2+]CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H25NO2/c1-12-5-4-6-14(9-12)17-11-13-7-8-15(18-2)16(10-13)19-3/h7-8,10,12,14,17H,4-6,9,11H2,1-3H3/p+1/t12-,14-/m0/s1