methyl-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[2-oxo-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethyl]ammonium CAS Name: methyl-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]azanium Traditional Name: benzyl-[2-keto-2-[4-[(E)-styryl]sulfonylpiperazino]ethyl]-methyl-ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c1-23(18-21-10-6-3-7-11-21)19-22(26)24-13-15-25(16-14-24)29(27,28)17-12-20-8-4-2-5-9-20/h2-12,17H,13-16,18-19H2,1H3/p+1/b17-12+