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

Systemtic Name: 2-[(3S)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-o-veratrylpiperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCCC(C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCC[C@@H](C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H30N2O2/c1-26-22-11-5-9-20(23(22)27-2)15-24-13-6-10-21(17-24)25-14-12-18-7-3-4-8-19(18)16-25/h3-5,7-9,11,21H,6,10,12-17H2,1-2H3/p+1/t21-/m0/s1