2-[(3S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[(3S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-[(3,4,5-trimethoxyphenyl)methyl]-3-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-(3,4,5-trimethoxybenzyl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Formula: C24H33N2O3+ MolecularWeight: 397.53042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O3/c1-27-22-13-18(14-23(28-2)24(22)29-3)15-25-11-6-9-21(17-25)26-12-10-19-7-4-5-8-20(19)16-26/h4-5,7-8,13-14,21H,6,9-12,15-17H2,1-3H3/p+1/t21-/m0/s1