(4-azanyl-4-oxidanylidene-3,3-diphenyl-butyl)-methyl-di(propan-2-yl)azanium; methyl sulfate

Systemtic Name: (4-azanyl-4-oxidanylidene-3,3-diphenyl-butyl)-methyl-di(propan-2-yl)azanium; methyl sulfate Openeye Name: (4-amino-4-oxo-3,3-diphenyl-butyl)-diisopropyl-methyl-ammonium; methyl sulfate CAS Name: (4-amino-4-oxo-3,3-diphenylbutyl)-methyl-di(propan-2-yl)ammonium; methyl sulfate IUPAC Name: (4-amino-4-oxo-3,3-diphenylbutyl)-methyl-di(propan-2-yl)azanium; methyl sulfate Traditional Name: (4-amino-4-keto-3,3-diphenyl-butyl)-diisopropyl-methyl-ammonium; methyl sulfate Formula: C24H36N2O5S MolecularWeight: 464.61804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](C)(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N)C(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC(C)[N+](C)(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N)C(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C23H32N2O.CH4O4S/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21;1-5-6(2,3)4/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26);1H3,(H,2,3,4)