2-[4-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C21H27ClN5O2+ MolecularWeight: 416.92438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC(=O)NC3CC3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC(=O)NC3CC3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H26ClN5O2/c1-15-19(20(22)27(24-15)13-16-5-3-2-4-6-16)21(29)26-11-9-25(10-12-26)14-18(28)23-17-7-8-17/h2-6,17H,7-14H2,1H3,(H,23,28)/p+1