[2-(4-ethanoylpiperazin-1-yl)-7-methylsulfanyl-quinolin-3-yl]methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-7-methylsulfanyl-quinolin-3-yl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-7-methylsulfanyl-3-quinolyl]methyl-(2-thienylmethyl)ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-7-(methylthio)-3-quinolinyl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)-7-methylsulfanylquinolin-3-yl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(4-acetylpiperazino)-7-(methylthio)-3-quinolyl]methyl-(2-thenyl)ammonium Formula: C22H27N4OS2+ MolecularWeight: 427.60598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4OS2/c1-16(27)25-7-9-26(10-8-25)22-18(14-23-15-20-4-3-11-29-20)12-17-5-6-19(28-2)13-21(17)24-22/h3-6,11-13,23H,7-10,14-15H2,1-2H3/p+1