2-(5-methylthiophen-2-yl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide

Systemtic Name: 2-(5-methylthiophen-2-yl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide Openeye Name: 2-(5-methyl-2-thienyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide CAS Name: 2-(5-methyl-2-thiophenyl)-N-[(1-propyl-4-piperidin-1-iumylidene)amino]-4-quinolinecarboxamide IUPAC Name: 2-(5-methylthiophen-2-yl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide Traditional Name: 2-(5-methyl-2-thienyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]cinchoninamide Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)C)CC1

Isomeric SMILES

CCC[NH+]1CCC(=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)C)CC1

InChI

InChI=1S/C23H26N4OS/c1-3-12-27-13-10-17(11-14-27)25-26-23(28)19-15-21(22-9-8-16(2)29-22)24-20-7-5-4-6-18(19)20/h4-9,15H,3,10-14H2,1-2H3,(H,26,28)/p+1