N-cyclopropyl-2-[4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C21H27N5O2/c1-15-20(16(2)26(23-15)18-6-4-3-5-7-18)21(28)25-12-10-24(11-13-25)14-19(27)22-17-8-9-17/h3-7,17H,8-14H2,1-2H3,(H,22,27)/p+1