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

Systemtic Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-cyclopropyl-2-phenyl-3-pyrazolyl)-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-cyclopropyl-2-phenylpyrazol-3-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N4O2/c30-25(24-19-23(20-11-12-20)26-29(24)21-7-3-1-4-8-21)28-15-13-27(14-16-28)17-18-31-22-9-5-2-6-10-22/h1-10,19-20H,11-18H2/p+1