N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-1-pyridin-3-yl-methanamine hydrochloride

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-1-pyridin-3-yl-methanamine hydrochloride Openeye Name: N-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl]-1-(3-pyridyl)methanamine hydrochloride CAS Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-(3-pyridinyl)methanamine hydrochloride IUPAC Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine hydrochloride Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-(3-pyridylmethyl)amine hydrochloride Formula: C21H22BrClN2O2 MolecularWeight: 449.76858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCC2=CN=CC=C2)Br)OCC3=CC=CC=C3.Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCC2=CN=CC=C2)Br)OCC3=CC=CC=C3.Cl

InChI

InChI=1S/C21H21BrN2O2.ClH/c1-25-20-11-18(14-24-13-17-8-5-9-23-12-17)10-19(22)21(20)26-15-16-6-3-2-4-7-16;/h2-12,24H,13-15H2,1H3;1H