N-[4-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1-piperidyl]sulfonyl]phenyl]acetamide CAS Name: N-[4-[[4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-piperidinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)piperidino]sulfonylphenyl]acetamide Formula: C23H30N5O4S+ MolecularWeight: 472.5804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H29N5O4S/c1-18(29)25-20-5-7-21(8-6-20)33(31,32)28-12-9-19(10-13-28)23(30)27-16-14-26(15-17-27)22-4-2-3-11-24-22/h2-8,11,19H,9-10,12-17H2,1H3,(H,25,29)/p+1