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

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-(3-phenyl-1H-pyrazol-5-yl)methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O/c26-21(20-15-19(22-23-20)18-9-5-2-6-10-18)25-13-11-24(12-14-25)16-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2,(H,22,23)/p+1