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

Systemtic Name: 6,7-dimethoxy-2-[[(3S)-piperidin-1-ium-3-yl]methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-2-[[(3S)-piperidin-1-ium-3-yl]methyl]-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-[[(3S)-3-piperidin-1-iumyl]methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-[[(3S)-piperidin-1-ium-3-yl]methyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethoxy-2-[[(3S)-piperidin-1-ium-3-yl]methyl]-3,4-dihydro-1H-isoquinoline Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CC3CCC[NH2+]C3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C[C@H]3CCC[NH2+]C3)OC

InChI

InChI=1S/C17H26N2O2/c1-20-16-8-14-5-7-19(11-13-4-3-6-18-10-13)12-15(14)9-17(16)21-2/h8-9,13,18H,3-7,10-12H2,1-2H3/p+1/t13-/m0/s1