2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-isoquinolin-1-one

Systemtic Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-isoquinolin-1-one Openeye Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)isoquinolin-1-one CAS Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-isoquinolinone IUPAC Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)isoquinolin-1-one Traditional Name: 6,7-dimethoxy-2-p-phenetyl-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)isocarbostyril Formula: C29H31N4O5+ MolecularWeight: 515.58024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C29H30N4O5/c1-4-38-21-10-8-20(9-11-21)33-19-24(22-17-25(36-2)26(37-3)18-23(22)29(33)35)28(34)32-15-13-31(14-16-32)27-7-5-6-12-30-27/h5-12,17-19H,4,13-16H2,1-3H3/p+1