(5-acetyloxy-4,4-diphenyl-heptan-2-yl)-methyl-azanium chloride

Systemtic Name: (5-acetyloxy-4,4-diphenyl-heptan-2-yl)-methyl-azanium chloride Openeye Name: (4-acetoxy-1-methyl-3,3-diphenyl-hexyl)-methyl-ammonium chloride CAS Name: (5-acetyloxy-4,4-diphenylheptan-2-yl)-methylammonium chloride IUPAC Name: (5-acetyloxy-4,4-diphenylheptan-2-yl)-methylazanium chloride Traditional Name: (4-acetoxy-1-methyl-3,3-diphenyl-hexyl)-methyl-ammonium chloride Formula: C22H30ClNO2 MolecularWeight: 375.9321

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(C)[NH2+]C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.[Cl-]

Isomeric SMILES

CCC(C(CC(C)[NH2+]C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.[Cl-]

InChI

InChI=1S/C22H29NO2.ClH/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,17,21,23H,5,16H2,1-4H3;1H