N-(2-cyanopropan-2-yl)-N-methyl-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-cyano-1-methyl-ethyl)-N-methyl-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-cyano-1-methyl-ethyl)-N-methyl-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H27N4O3S+ MolecularWeight: 391.50768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)N(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3S/c1-19(2,16-20)21(3)18(24)15-22-10-12-23(13-11-22)27(25,26)14-9-17-7-5-4-6-8-17/h4-9,14H,10-13,15H2,1-3H3/p+1/b14-9+