3,5-dimethyl-1-(phenylmethyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-1-(phenylmethyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide Openeye Name: 1-benzyl-3,5-dimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-1-(phenylmethyl)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3,5-dimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-3,5-dimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pyrazole-4-carboxamide Formula: C25H32N5O+ MolecularWeight: 418.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N5O/c1-20-24(21(2)30(27-20)19-22-9-5-3-6-10-22)25(31)26-13-14-28-15-17-29(18-16-28)23-11-7-4-8-12-23/h3-12H,13-19H2,1-2H3,(H,26,31)/p+1