2-[(3S)-1-cyclohexylpiperidin-1-ium-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[(3S)-1-cyclohexylpiperidin-1-ium-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-cyclohexylpiperidin-1-ium-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-cyclohexyl-3-piperidin-1-iumyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-cyclohexylpiperidin-1-ium-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-cyclohexylpiperidin-1-ium-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C22H35N2O2+ MolecularWeight: 359.5255

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CCC[NH+](C3)C4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)[C@H]3CCC[NH+](C3)C4CCCCC4)OC

InChI

InChI=1S/C22H34N2O2/c1-25-21-13-17-10-12-24(15-18(17)14-22(21)26-2)20-9-6-11-23(16-20)19-7-4-3-5-8-19/h13-14,19-20H,3-12,15-16H2,1-2H3/p+1/t20-/m0/s1