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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[5-methyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-pyrazolyl]acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetamide Traditional Name: N-(4-chlorobenzyl)-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]acetamide Formula: C19H25ClN5O2+ MolecularWeight: 390.8871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NCC2=CC=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)NCC2=CC=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H24ClN5O2/c1-14-11-17(19(27)24-9-7-23(2)8-10-24)22-25(14)13-18(26)21-12-15-3-5-16(20)6-4-15/h3-6,11H,7-10,12-13H2,1-2H3,(H,21,26)/p+1