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

Systemtic Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone Openeye Name: [4-(m-tolylmethyl)piperazin-4-ium-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-(3-phenyl-1H-pyrazol-5-yl)methanone IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone Traditional Name: [4-(3-methylbenzyl)piperazin-4-ium-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O/c1-17-6-5-7-18(14-17)16-25-10-12-26(13-11-25)22(27)21-15-20(23-24-21)19-8-3-2-4-9-19/h2-9,14-15H,10-13,16H2,1H3,(H,23,24)/p+1