N-[4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

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