(E)-2-(3,4-dimethylphenyl)sulfonyl-3-(4-methylpiperazin-4-ium-1-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(3,4-dimethylphenyl)sulfonyl-3-(4-methylpiperazin-4-ium-1-yl)prop-2-enenitrile Openeye Name: (E)-2-(3,4-dimethylphenyl)sulfonyl-3-(4-methylpiperazin-4-ium-1-yl)prop-2-enenitrile CAS Name: (E)-2-(3,4-dimethylphenyl)sulfonyl-3-(4-methyl-1-piperazin-4-iumyl)-2-propenenitrile IUPAC Name: (E)-2-(3,4-dimethylphenyl)sulfonyl-3-(4-methylpiperazin-4-ium-1-yl)prop-2-enenitrile Traditional Name: (E)-2-(3,4-dimethylphenyl)sulfonyl-3-(4-methylpiperazin-4-ium-1-yl)acrylonitrile Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C(=CN2CC[NH+](CC2)C)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)/C(=C/N2CC[NH+](CC2)C)/C#N)C

InChI

InChI=1S/C16H21N3O2S/c1-13-4-5-15(10-14(13)2)22(20,21)16(11-17)12-19-8-6-18(3)7-9-19/h4-5,10,12H,6-9H2,1-3H3/p+1/b16-12+