3-(2-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3-(2-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-(2-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide CAS Name: 3-(2-methoxyphenyl)-N-(4-methyl-1-piperazin-4-iumyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(2-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-3-(2-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CN(N=C2C3=CC=CC=C3OC)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CN(N=C2C3=CC=CC=C3OC)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2/c1-26-12-14-27(15-13-26)25-23(29)20-17-28(16-18-8-4-3-5-9-18)24-22(20)19-10-6-7-11-21(19)30-2/h3-11,17H,12-16H2,1-2H3,(H,25,29)/p+1