[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2-oxidanylidene-quinolin-3-yl]methyl-(1-ethoxycarbonylpiperidin-4-yl)azanium

Systemtic Name: [6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2-oxidanylidene-quinolin-3-yl]methyl-(1-ethoxycarbonylpiperidin-4-yl)azanium Openeye Name: [6,7-dimethoxy-2-oxo-1-(p-tolylmethyl)-3-quinolyl]methyl-(1-ethoxycarbonyl-4-piperidyl)ammonium CAS Name: [6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2-oxo-3-quinolinyl]methyl-(1-ethoxycarbonyl-4-piperidinyl)ammonium IUPAC Name: [6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2-oxoquinolin-3-yl]methyl-(1-ethoxycarbonylpiperidin-4-yl)azanium Traditional Name: (1-carbethoxy-4-piperidyl)-[[2-keto-6,7-dimethoxy-1-(4-methylbenzyl)-3-quinolyl]methyl]ammonium Formula: C28H36N3O5+ MolecularWeight: 494.60254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH2+]CC2=CC3=CC(=C(C=C3N(C2=O)CC4=CC=C(C=C4)C)OC)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH2+]CC2=CC3=CC(=C(C=C3N(C2=O)CC4=CC=C(C=C4)C)OC)OC

InChI

InChI=1S/C28H35N3O5/c1-5-36-28(33)30-12-10-23(11-13-30)29-17-22-14-21-15-25(34-3)26(35-4)16-24(21)31(27(22)32)18-20-8-6-19(2)7-9-20/h6-9,14-16,23,29H,5,10-13,17-18H2,1-4H3/p+1