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

Systemtic Name: N-butyl-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]-N-phenyl-ethanamide Openeye Name: N-butyl-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]-N-phenyl-acetamide CAS Name: N-butyl-2-[5-methyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-pyrazolyl]-N-phenylacetamide IUPAC Name: N-butyl-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]-N-phenylacetamide Traditional Name: N-butyl-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]-N-phenyl-acetamide Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O2/c1-4-5-11-26(19-9-7-6-8-10-19)21(28)17-27-18(2)16-20(23-27)22(29)25-14-12-24(3)13-15-25/h6-10,16H,4-5,11-15,17H2,1-3H3/p+1