1-(2,3-dihydroindol-1-yl)-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]ethanone

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]ethanone Openeye Name: 1-indolin-1-yl-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]ethanone CAS Name: 1-(2,3-dihydroindol-1-yl)-2-[5-methyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-pyrazolyl]ethanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]ethanone Traditional Name: 1-indolin-1-yl-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]ethanone Formula: C20H26N5O2+ MolecularWeight: 368.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)N2CCC3=CC=CC=C32)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)N2CCC3=CC=CC=C32)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C20H25N5O2/c1-15-13-17(20(27)23-11-9-22(2)10-12-23)21-25(15)14-19(26)24-8-7-16-5-3-4-6-18(16)24/h3-6,13H,7-12,14H2,1-2H3/p+1