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

Systemtic Name: N-butyl-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-1-ium-4-yl-quinoline-4-carboxamide Openeye Name: N-butyl-6-[(4-methyl-1-piperidyl)sulfonyl]-2-pyridin-1-ium-4-yl-quinoline-4-carboxamide CAS Name: N-butyl-6-[(4-methyl-1-piperidinyl)sulfonyl]-2-(4-pyridin-1-iumyl)-4-quinolinecarboxamide IUPAC Name: N-butyl-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-1-ium-4-ylquinoline-4-carboxamide Traditional Name: N-butyl-6-(4-methylpiperidino)sulfonyl-2-pyridin-1-ium-4-yl-cinchoninamide Formula: C25H31N4O3S+ MolecularWeight: 467.60364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3S/c1-3-4-11-27-25(30)22-17-24(19-7-12-26-13-8-19)28-23-6-5-20(16-21(22)23)33(31,32)29-14-9-18(2)10-15-29/h5-8,12-13,16-18H,3-4,9-11,14-15H2,1-2H3,(H,27,30)/p+1