(Z)-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (Z)-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (Z)-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-methylsulfonyl-prop-2-enenitrile CAS Name: (Z)-3-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-methylsulfonyl-2-propenenitrile IUPAC Name: (Z)-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-methylsulfonylprop-2-enenitrile Traditional Name: (Z)-2-mesyl-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acrylonitrile Formula: C15H20N3O2S+ MolecularWeight: 306.4032

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2C=C(C#N)S(=O)(=O)C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2/C=C(/C#N)\S(=O)(=O)C

InChI

InChI=1S/C15H19N3O2S/c1-17-7-9-18(10-8-17)15-6-4-3-5-13(15)11-14(12-16)21(2,19)20/h3-6,11H,7-10H2,1-2H3/p+1/b14-11-