6,7-dimethoxy-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[[(4S)-4-(1-methylethenyl)-1-cyclohexenyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H30NO2+ MolecularWeight: 328.4684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(=CC1)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC(=C)[C@H]1CCC(=CC1)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C21H29NO2/c1-15(2)17-7-5-16(6-8-17)13-22-10-9-18-11-20(23-3)21(24-4)12-19(18)14-22/h5,11-12,17H,1,6-10,13-14H2,2-4H3/p+1/t17-/m1/s1