2-(dimethylaminomethyl)-1,3,6-triphenyl-hexan-1-one hydrochloride

Systemtic Name: 2-(dimethylaminomethyl)-1,3,6-triphenyl-hexan-1-one hydrochloride Openeye Name: 2-(dimethylaminomethyl)-1,3,6-triphenyl-hexan-1-one hydrochloride CAS Name: 2-(dimethylaminomethyl)-1,3,6-triphenyl-1-hexanone hydrochloride IUPAC Name: 2-(dimethylaminomethyl)-1,3,6-triphenylhexan-1-one hydrochloride Traditional Name: 2-(dimethylaminomethyl)-1,3,6-triphenyl-hexan-1-one hydrochloride Formula: C27H32ClNO MolecularWeight: 422.00208

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(C(CCCC1=CC=CC=C1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.Cl

Isomeric SMILES

CN(C)CC(C(CCCC1=CC=CC=C1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C27H31NO.ClH/c1-28(2)21-26(27(29)24-18-10-5-11-19-24)25(23-16-8-4-9-17-23)20-12-15-22-13-6-3-7-14-22;/h3-11,13-14,16-19,25-26H,12,15,20-21H2,1-2H3;1H