(E)-1-[2,6-dimethyl-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-3-(2-methylphenyl)prop-2-en-1-one hydrochloride

Systemtic Name: (E)-1-[2,6-dimethyl-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-3-(2-methylphenyl)prop-2-en-1-one hydrochloride Openeye Name: (E)-1-[2,6-dimethyl-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-3-(o-tolyl)prop-2-en-1-one hydrochloride CAS Name: (E)-1-[2,6-dimethyl-4-[3-(1-pyrrolidinyl)propoxy]phenyl]-3-(2-methylphenyl)-2-propen-1-one hydrochloride IUPAC Name: (E)-1-[2,6-dimethyl-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-3-(2-methylphenyl)prop-2-en-1-one hydrochloride Traditional Name: (E)-1-[2,6-dimethyl-4-(3-pyrrolidinopropoxy)phenyl]-3-(o-tolyl)prop-2-en-1-one hydrochloride Formula: C25H32ClNO2 MolecularWeight: 413.98008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)C2=C(C=C(C=C2C)OCCCN3CCCC3)C.Cl

Isomeric SMILES

CC1=CC=CC=C1/C=C/C(=O)C2=C(C=C(C=C2C)OCCCN3CCCC3)C.Cl

InChI

InChI=1S/C25H31NO2.ClH/c1-19-9-4-5-10-22(19)11-12-24(27)25-20(2)17-23(18-21(25)3)28-16-8-15-26-13-6-7-14-26;/h4-5,9-12,17-18H,6-8,13-16H2,1-3H3;1H/b12-11+;