[(2R,5R)-5-acetyloxy-4,4-diphenyl-heptan-2-yl]-dimethyl-azanium chloride

Systemtic Name: [(2R,5R)-5-acetyloxy-4,4-diphenyl-heptan-2-yl]-dimethyl-azanium chloride Openeye Name: [(1R,4R)-4-acetoxy-1-methyl-3,3-diphenyl-hexyl]-dimethyl-ammonium chloride CAS Name: [(2R,5R)-5-acetyloxy-4,4-diphenylheptan-2-yl]-dimethylammonium chloride IUPAC Name: [(2R,5R)-5-acetyloxy-4,4-diphenylheptan-2-yl]-dimethylazanium chloride Traditional Name: [(1R,4R)-4-acetoxy-1-methyl-3,3-diphenyl-hexyl]-dimethyl-ammonium chloride Formula: C23H32ClNO2 MolecularWeight: 389.95868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(C)[NH+](C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.[Cl-]

Isomeric SMILES

CC[C@H](C(C[C@@H](C)[NH+](C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.[Cl-]

InChI

InChI=1S/C23H31NO2.ClH/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,18,22H,6,17H2,1-5H3;1H/t18-,22-;/m1./s1