N-methyl-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-methyl-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-3-(p-tolyl)pyrazole-4-carboxamide CAS Name: N-methyl-3-(4-methylphenyl)-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-methyl-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-methyl-3-(p-tolyl)pyrazole-4-carboxamide Formula: C26H32N5O2+ MolecularWeight: 446.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N(C)CC(=O)N3CC[NH+](CC3)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N(C)CC(=O)N3CC[NH+](CC3)C)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O2/c1-20-9-11-22(12-10-20)25-23(18-31(27-25)17-21-7-5-4-6-8-21)26(33)29(3)19-24(32)30-15-13-28(2)14-16-30/h4-12,18H,13-17,19H2,1-3H3/p+1