[2-(4-ethoxycarbonylpiperidin-1-yl)-5,8-dimethoxy-quinolin-1-ium-3-yl]methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-(4-ethoxycarbonylpiperidin-1-yl)-5,8-dimethoxy-quinolin-1-ium-3-yl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(4-ethoxycarbonyl-1-piperidyl)-5,8-dimethoxy-quinolin-1-ium-3-yl]methyl-(2-thienylmethyl)ammonium CAS Name: [2-(4-ethoxycarbonyl-1-piperidinyl)-5,8-dimethoxy-3-quinolin-1-iumyl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(4-ethoxycarbonylpiperidin-1-yl)-5,8-dimethoxyquinolin-1-ium-3-yl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(4-carbethoxypiperidino)-5,8-dimethoxy-quinolin-1-ium-3-yl]methyl-(2-thenyl)ammonium Formula: C25H33N3O4S+2 MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=[NH+]C3=C(C=CC(=C3C=C2C[NH2+]CC4=CC=CS4)OC)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=[NH+]C3=C(C=CC(=C3C=C2C[NH2+]CC4=CC=CS4)OC)OC

InChI

InChI=1S/C25H31N3O4S/c1-4-32-25(29)17-9-11-28(12-10-17)24-18(15-26-16-19-6-5-13-33-19)14-20-21(30-2)7-8-22(31-3)23(20)27-24/h5-8,13-14,17,26H,4,9-12,15-16H2,1-3H3/p+2