6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H28NO2+ MolecularWeight: 290.42042

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

C[C@H]1CCC[C@H](C1)[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C18H27NO2/c1-13-5-4-6-16(9-13)19-8-7-14-10-17(20-2)18(21-3)11-15(14)12-19/h10-11,13,16H,4-9,12H2,1-3H3/p+1/t13-,16+/m0/s1