6-(dimethylamino)-5-methyl-4,4-diphenyl-hexan-3-one hydrate hydrochloride

Systemtic Name: 6-(dimethylamino)-5-methyl-4,4-diphenyl-hexan-3-one hydrate hydrochloride Openeye Name: 6-(dimethylamino)-5-methyl-4,4-diphenyl-hexan-3-one hydrate hydrochloride CAS Name: 6-(dimethylamino)-5-methyl-4,4-diphenyl-3-hexanone hydrate hydrochloride IUPAC Name: 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one hydrate hydrochloride Traditional Name: 6-(dimethylamino)-5-methyl-4,4-diphenyl-hexan-3-one hydrate hydrochloride Formula: C21H30ClNO2 MolecularWeight: 363.9214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.O.Cl

Isomeric SMILES

CCC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.O.Cl

InChI

InChI=1S/C21H27NO.ClH.H2O/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;;/h6-15,17H,5,16H2,1-4H3;1H;1H2