[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(3-methylphenyl)methanone chloride

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(3-methylphenyl)methanone chloride Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(m-tolyl)methanone chloride CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(3-methylphenyl)methanone chloride IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-methylphenyl)methanone chloride Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(m-tolyl)methanone chloride Formula: C25H27ClN2O MolecularWeight: 406.94768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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