(E)-3-(2-methylphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(2-methylphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide Openeye Name: (E)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(o-tolyl)prop-2-enamide CAS Name: (E)-3-(2-methylphenyl)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(2-methylphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide Traditional Name: (E)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(o-tolyl)acrylamide Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1/C=C/C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H25N3O/c1-17-5-3-4-6-18(17)7-12-21(25)22-19-8-10-20(11-9-19)24-15-13-23(2)14-16-24/h3-12H,13-16H2,1-2H3,(H,22,25)/p+1/b12-7+