N-butyl-N-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-1-ium-2-yl-quinoline-4-carboxamide

Systemtic Name: N-butyl-N-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-1-ium-2-yl-quinoline-4-carboxamide Openeye Name: N-butyl-N-methyl-6-[(4-methyl-1-piperidyl)sulfonyl]-2-pyridin-1-ium-2-yl-quinoline-4-carboxamide CAS Name: N-butyl-N-methyl-6-[(4-methyl-1-piperidinyl)sulfonyl]-2-(2-pyridin-1-iumyl)-4-quinolinecarboxamide IUPAC Name: N-butyl-N-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-1-ium-2-ylquinoline-4-carboxamide Traditional Name: N-butyl-N-methyl-6-(4-methylpiperidino)sulfonyl-2-pyridin-1-ium-2-yl-cinchoninamide Formula: C26H33N4O3S+ MolecularWeight: 481.63022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)C4=CC=CC=[NH+]4

Isomeric SMILES

CCCCN(C)C(=O)C1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)C4=CC=CC=[NH+]4

InChI

InChI=1S/C26H32N4O3S/c1-4-5-14-29(3)26(31)22-18-25(24-8-6-7-13-27-24)28-23-10-9-20(17-21(22)23)34(32,33)30-15-11-19(2)12-16-30/h6-10,13,17-19H,4-5,11-12,14-16H2,1-3H3/p+1