N-[4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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