[2-(4-ethoxycarbonylpiperazin-1-yl)-6,7-dimethoxy-quinolin-1-ium-3-yl]methyl-phenethyl-azanium

Systemtic Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6,7-dimethoxy-quinolin-1-ium-3-yl]methyl-phenethyl-azanium Openeye Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6,7-dimethoxy-quinolin-1-ium-3-yl]methyl-phenethyl-ammonium CAS Name: [2-(4-ethoxycarbonyl-1-piperazinyl)-6,7-dimethoxy-3-quinolin-1-iumyl]methyl-phenethylammonium IUPAC Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6,7-dimethoxyquinolin-1-ium-3-yl]methyl-phenethylazanium Traditional Name: [2-(4-carbethoxypiperazino)-6,7-dimethoxy-quinolin-1-ium-3-yl]methyl-phenethyl-ammonium Formula: C27H36N4O4+2 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C(=CC3=[NH+]2)OC)OC)C[NH2+]CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C(=CC3=[NH+]2)OC)OC)C[NH2+]CCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O4/c1-4-35-27(32)31-14-12-30(13-15-31)26-22(19-28-11-10-20-8-6-5-7-9-20)16-21-17-24(33-2)25(34-3)18-23(21)29-26/h5-9,16-18,28H,4,10-15,19H2,1-3H3/p+2