N-cyclopropyl-2-[4-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[4-[[3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-[1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C28H34N5O2+ MolecularWeight: 472.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C28H33N5O2/c1-20-8-9-23(16-21(20)2)27-25(18-33(30-27)17-22-6-4-3-5-7-22)28(35)32-14-12-31(13-15-32)19-26(34)29-24-10-11-24/h3-9,16,18,24H,10-15,17,19H2,1-2H3,(H,29,34)/p+1