(E)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-yl-prop-2-en-1-amine hydrate dihydrochloride

Systemtic Name: (E)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-yl-prop-2-en-1-amine hydrate dihydrochloride Openeye Name: (E)-3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridyl)prop-2-en-1-amine hydrate dihydrochloride CAS Name: (E)-3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)-2-propen-1-amine hydrate dihydrochloride IUPAC Name: (E)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine hydrate dihydrochloride Traditional Name: [(E)-3-(4-bromophenyl)-3-(3-pyridyl)allyl]-dimethyl-amine hydrate dihydrochloride Formula: C16H21BrCl2N2O MolecularWeight: 408.16074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2.2ClH.H2O/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13;;;/h3-10,12H,11H2,1-2H3;2*1H;1H2/b16-9+;;;