2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]acetonitrile Formula: C14H18N3O3S+ MolecularWeight: 308.37602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC#N

InChI

InChI=1S/C14H17N3O3S/c1-12(18)13-2-4-14(5-3-13)21(19,20)17-10-8-16(7-6-15)9-11-17/h2-5H,7-11H2,1H3/p+1