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

Systemtic Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6,7-dimethoxy-quinolin-1-ium-3-yl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6,7-dimethoxy-quinolin-1-ium-3-yl]methyl-(2-thienylmethyl)ammonium CAS Name: [2-(4-ethoxycarbonyl-1-piperazinyl)-6,7-dimethoxy-3-quinolin-1-iumyl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6,7-dimethoxyquinolin-1-ium-3-yl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(4-carbethoxypiperazino)-6,7-dimethoxy-quinolin-1-ium-3-yl]methyl-(2-thenyl)ammonium Formula: C24H32N4O4S+2 MolecularWeight: 472.60028

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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+]CC4=CC=CS4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C(=CC3=[NH+]2)OC)OC)C[NH2+]CC4=CC=CS4

InChI

InChI=1S/C24H30N4O4S/c1-4-32-24(29)28-9-7-27(8-10-28)23-18(15-25-16-19-6-5-11-33-19)12-17-13-21(30-2)22(31-3)14-20(17)26-23/h5-6,11-14,25H,4,7-10,15-16H2,1-3H3/p+2