N-[4-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=N3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=N3

InChI

InChI=1S/C19H24N4O3S/c1-16(24)21-18-5-7-19(8-6-18)27(25,26)23-14-12-22(13-15-23)11-9-17-4-2-3-10-20-17/h2-8,10H,9,11-15H2,1H3,(H,21,24)/p+1