[4-(5-methylpyrazol-1-yl)phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(5-methylpyrazol-1-yl)phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone CAS Name: [4-(5-methyl-1-pyrazolyl)phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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