2-(4-ethylphenyl)sulfanyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-ethylphenyl)sulfanyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]quinoline-4-carboxamide Openeye Name: 2-(4-ethylphenyl)sulfanyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]quinoline-4-carboxamide CAS Name: 2-[(4-ethylphenyl)thio]-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-ethylphenyl)sulfanyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]quinoline-4-carboxamide Traditional Name: 2-[(4-ethylphenyl)thio]-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]cinchoninamide Formula: C27H34N3OS+ MolecularWeight: 448.64336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCC(CC4)C

Isomeric SMILES

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCC(CC4)C

InChI

InChI=1S/C27H33N3OS/c1-3-21-9-11-22(12-10-21)32-26-19-24(23-7-4-5-8-25(23)29-26)27(31)28-15-6-16-30-17-13-20(2)14-18-30/h4-5,7-12,19-20H,3,6,13-18H2,1-2H3,(H,28,31)/p+1