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

Systemtic Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone Openeye Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone CAS Name: [4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-(3-phenyl-1H-pyrazol-5-yl)methanone IUPAC Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone Traditional Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2/c27-22(21-17-20(23-24-21)18-7-3-1-4-8-18)26-13-11-25(12-14-26)15-16-28-19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,23,24)/p+1