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

Systemtic Name: (E)-1-[3,5-bis(dimethylaminomethyl)-4-oxidanyl-phenyl]-3-(4-methylphenyl)prop-2-en-1-one hydrochloride Openeye Name: (E)-1-[3,5-bis(dimethylaminomethyl)-4-hydroxy-phenyl]-3-(p-tolyl)prop-2-en-1-one hydrochloride CAS Name: (E)-1-[3,5-bis(dimethylaminomethyl)-4-hydroxyphenyl]-3-(4-methylphenyl)-2-propen-1-one hydrochloride IUPAC Name: (E)-1-[3,5-bis(dimethylaminomethyl)-4-hydroxyphenyl]-3-(4-methylphenyl)prop-2-en-1-one hydrochloride Traditional Name: (E)-1-[3,5-bis(dimethylaminomethyl)-4-hydroxy-phenyl]-3-(p-tolyl)prop-2-en-1-one hydrochloride Formula: C22H29ClN2O2 MolecularWeight: 388.93086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2.ClH/c1-16-6-8-17(9-7-16)10-11-21(25)18-12-19(14-23(2)3)22(26)20(13-18)15-24(4)5;/h6-13,26H,14-15H2,1-5H3;1H/b11-10+;