(E)-1-[3,5-bis(dimethylaminomethyl)-4-oxidanyl-phenyl]-3-(3,4-dichlorophenyl)prop-2-en-1-one hydrochloride

Systemtic Name: (E)-1-[3,5-bis(dimethylaminomethyl)-4-oxidanyl-phenyl]-3-(3,4-dichlorophenyl)prop-2-en-1-one hydrochloride Openeye Name: (E)-1-[3,5-bis(dimethylaminomethyl)-4-hydroxy-phenyl]-3-(3,4-dichlorophenyl)prop-2-en-1-one hydrochloride CAS Name: (E)-1-[3,5-bis(dimethylaminomethyl)-4-hydroxyphenyl]-3-(3,4-dichlorophenyl)-2-propen-1-one hydrochloride IUPAC Name: (E)-1-[3,5-bis(dimethylaminomethyl)-4-hydroxyphenyl]-3-(3,4-dichlorophenyl)prop-2-en-1-one hydrochloride Traditional Name: (E)-1-[3,5-bis(dimethylaminomethyl)-4-hydroxy-phenyl]-3-(3,4-dichlorophenyl)prop-2-en-1-one hydrochloride Formula: C21H25Cl3N2O2 MolecularWeight: 443.7944

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl.Cl

Isomeric SMILES

CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl.Cl

InChI

InChI=1S/C21H24Cl2N2O2.ClH/c1-24(2)12-16-10-15(11-17(21(16)27)13-25(3)4)20(26)8-6-14-5-7-18(22)19(23)9-14;/h5-11,27H,12-13H2,1-4H3;1H/b8-6+;