2-(dimethylaminomethyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride

Systemtic Name: 2-(dimethylaminomethyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride Openeye Name: 2-benzyl-3-(dimethylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride CAS Name: 2-(dimethylaminomethyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)-1-propanone hydrochloride IUPAC Name: 2-benzyl-3-(dimethylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride Traditional Name: 2-benzyl-3-(dimethylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride Formula: C21H28ClNO4 MolecularWeight: 393.90432

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(CC1=CC=CC=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl

Isomeric SMILES

CN(C)CC(CC1=CC=CC=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl

InChI

InChI=1S/C21H27NO4.ClH/c1-22(2)14-17(11-15-9-7-6-8-10-15)20(23)16-12-18(24-3)21(26-5)19(13-16)25-4;/h6-10,12-13,17H,11,14H2,1-5H3;1H