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

Systemtic Name: N-[[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]methyl]ethanamide Openeye Name: N-[[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]methyl]acetamide CAS Name: N-[[4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]phenyl]methyl]acetamide IUPAC Name: N-[[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]methyl]acetamide Traditional Name: N-[4-(4-pyridin-1-ium-2-ylpiperazino)sulfonylbenzyl]acetamide Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H22N4O3S/c1-15(23)20-14-16-5-7-17(8-6-16)26(24,25)22-12-10-21(11-13-22)18-4-2-3-9-19-18/h2-9H,10-14H2,1H3,(H,20,23)/p+1