N-(2-methylphenyl)-N-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]methanesulfonamide

Systemtic Name: N-(2-methylphenyl)-N-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]methanesulfonamide Openeye Name: N-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-N-(o-tolyl)methanesulfonamide CAS Name: N-(2-methylphenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]methanesulfonamide IUPAC Name: N-(2-methylphenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]methanesulfonamide Traditional Name: N-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-N-(o-tolyl)methanesulfonamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C23H29N3O3S/c1-20-9-6-7-13-22(20)26(30(2,28)29)19-23(27)25-17-15-24(16-18-25)14-8-12-21-10-4-3-5-11-21/h3-13H,14-19H2,1-2H3/p+1/b12-8+