[2-(4-ethanoylpiperazin-1-yl)-7-methylsulfanyl-quinolin-3-yl]methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-7-methylsulfanyl-quinolin-3-yl]methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-7-methylsulfanyl-3-quinolyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-7-(methylthio)-3-quinolinyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)-7-methylsulfanylquinolin-3-yl]methyl-[(3,4,5-trimethoxyphenyl)methyl]azanium Traditional Name: [2-(4-acetylpiperazino)-7-(methylthio)-3-quinolyl]methyl-(3,4,5-trimethoxybenzyl)ammonium Formula: C27H35N4O4S+ MolecularWeight: 511.6562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=N2)SC)C[NH2+]CC4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=N2)SC)C[NH2+]CC4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C27H34N4O4S/c1-18(32)30-8-10-31(11-9-30)27-21(14-20-6-7-22(36-5)15-23(20)29-27)17-28-16-19-12-24(33-2)26(35-4)25(13-19)34-3/h6-7,12-15,28H,8-11,16-17H2,1-5H3/p+1