1-(4-methylpiperidin-1-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(4-methyl-1-piperidyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-methyl-1-piperidinyl)-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(4-methylpiperidino)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C20H30N3O3S+ MolecularWeight: 392.5355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1CCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H29N3O3S/c1-18-7-10-22(11-8-18)20(24)17-21-12-14-23(15-13-21)27(25,26)16-9-19-5-3-2-4-6-19/h2-6,9,16,18H,7-8,10-15,17H2,1H3/p+1/b16-9+