2-(3,4-dimethoxyphenyl)ethyl-methyl-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[[(4S)-4-(1-methylethenyl)-1-cyclohexenyl]methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]azanium Traditional Name: homoveratryl-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]-methyl-ammonium Formula: C21H32NO2+ MolecularWeight: 330.48428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(=CC1)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(=C)[C@H]1CCC(=CC1)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H31NO2/c1-16(2)19-9-6-18(7-10-19)15-22(3)13-12-17-8-11-20(23-4)21(14-17)24-5/h6,8,11,14,19H,1,7,9-10,12-13,15H2,2-5H3/p+1/t19-/m1/s1