[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone chloride

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone chloride Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(p-tolyl)methanone chloride CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(4-methylphenyl)methanone chloride IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-methylphenyl)methanone chloride Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(p-tolyl)methanone chloride Formula: C25H27ClN2O MolecularWeight: 406.94768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C25H26N2O.ClH/c1-20-12-14-23(15-13-20)25(28)27-18-16-26(17-19-27)24(21-8-4-2-5-9-21)22-10-6-3-7-11-22;/h2-15,24H,16-19H2,1H3;1H