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

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[4-(5-methyl-1-pyrazolyl)phenyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone Formula: C28H29N4O+ MolecularWeight: 437.55606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O/c1-22-16-17-29-32(22)26-14-12-25(13-15-26)28(33)31-20-18-30(19-21-31)27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-17,27H,18-21H2,1H3/p+1