(E)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: (E)-2-(benzenesulfonyl)-3-(4-benzylpiperazin-4-ium-1-yl)prop-2-enenitrile CAS Name: (E)-2-(benzenesulfonyl)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propenenitrile IUPAC Name: (E)-2-(benzenesulfonyl)-3-(4-benzylpiperazin-4-ium-1-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-benzylpiperazin-4-ium-1-yl)-2-besyl-acrylonitrile Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C=C(C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)/C=C(\C#N)/S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S/c21-15-20(26(24,25)19-9-5-2-6-10-19)17-23-13-11-22(12-14-23)16-18-7-3-1-4-8-18/h1-10,17H,11-14,16H2/p+1/b20-17+