(3,5-ditert-butylphenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone chloride

Systemtic Name: (3,5-ditert-butylphenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone chloride Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3,5-ditert-butylphenyl)methanone chloride CAS Name: (3,5-ditert-butylphenyl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone chloride IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3,5-ditert-butylphenyl)methanone chloride Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3,5-ditert-butylphenyl)methanone chloride Formula: C32H41ClN2O MolecularWeight: 505.13374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H40N2O.ClH/c1-31(2,3)27-21-26(22-28(23-27)32(4,5)6)30(35)34-19-17-33(18-20-34)29(24-13-9-7-10-14-24)25-15-11-8-12-16-25;/h7-16,21-23,29H,17-20H2,1-6H3;1H