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

Systemtic Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-quinolin-3-yl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-3-quinolyl]methyl-(2-thienylmethyl)ammonium CAS Name: [2-(4-ethoxycarbonyl-1-piperazinyl)-6-methyl-3-quinolinyl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methylquinolin-3-yl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(4-carbethoxypiperazino)-6-methyl-3-quinolyl]methyl-(2-thenyl)ammonium Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=N2)C)C[NH2+]CC4=CC=CS4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=N2)C)C[NH2+]CC4=CC=CS4

InChI

InChI=1S/C23H28N4O2S/c1-3-29-23(28)27-10-8-26(9-11-27)22-19(15-24-16-20-5-4-12-30-20)14-18-13-17(2)6-7-21(18)25-22/h4-7,12-14,24H,3,8-11,15-16H2,1-2H3/p+1