N-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]-1-pyridin-2-yl-methanamine dihydrochloride

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]-1-pyridin-2-yl-methanamine dihydrochloride Openeye Name: N-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methyl]-1-(2-pyridyl)methanamine dihydrochloride CAS Name: N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-(2-pyridinyl)methanamine dihydrochloride IUPAC Name: N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridin-2-ylmethanamine dihydrochloride Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-(2-pyridylmethyl)amine dihydrochloride Formula: C17H21BrCl2N2O2 MolecularWeight: 436.17084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCC2=CC=CC=N2)Br)OCC=C.Cl.Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCC2=CC=CC=N2)Br)OCC=C.Cl.Cl

InChI

InChI=1S/C17H19BrN2O2.2ClH/c1-3-8-22-17-15(18)9-13(10-16(17)21-2)11-19-12-14-6-4-5-7-20-14;;/h3-7,9-10,19H,1,8,11-12H2,2H3;2*1H