N-ethyl-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]-N-(2-methylphenyl)ethanamide

Systemtic Name: N-ethyl-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]-N-(2-methylphenyl)ethanamide Openeye Name: N-ethyl-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]-N-(o-tolyl)acetamide CAS Name: N-ethyl-2-[5-methyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-pyrazolyl]-N-(2-methylphenyl)acetamide IUPAC Name: N-ethyl-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]-N-(2-methylphenyl)acetamide Traditional Name: N-ethyl-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]-N-(o-tolyl)acetamide Formula: C21H30N5O2+ MolecularWeight: 384.4952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1C)C(=O)CN2C(=CC(=N2)C(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CCN(C1=CC=CC=C1C)C(=O)CN2C(=CC(=N2)C(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C21H29N5O2/c1-5-25(19-9-7-6-8-16(19)2)20(27)15-26-17(3)14-18(22-26)21(28)24-12-10-23(4)11-13-24/h6-9,14H,5,10-13,15H2,1-4H3/p+1