(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)methanone CAS Name: (5-cyclopropyl-2-phenyl-3-pyrazolyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(5-cyclopropyl-2-phenylpyrazol-3-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)methanone Formula: C24H27N4O+ MolecularWeight: 387.49738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H26N4O/c29-24(27-15-13-26(14-16-27)18-19-7-3-1-4-8-19)23-17-22(20-11-12-20)25-28(23)21-9-5-2-6-10-21/h1-10,17,20H,11-16,18H2/p+1