(E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]prop-2-enamide

Systemtic Name: (E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]prop-2-enamide Openeye Name: (E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]prop-2-enamide CAS Name: (E)-3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-N-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-2-propenamide IUPAC Name: (E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]prop-2-enamide Traditional Name: (E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-methyl-acrylamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC(=O)N(C)CC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C(=O)N(C)CC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C23H30N4O2/c1-18-16-20(19(2)27(18)21-8-6-5-7-9-21)10-11-22(28)25(4)17-23(29)26-14-12-24(3)13-15-26/h5-11,16H,12-15,17H2,1-4H3/p+1/b11-10+