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

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-3-yl-methanamine dihydrochloride Openeye Name: N-[[3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl]-1-(3-pyridyl)methanamine dihydrochloride CAS Name: N-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(3-pyridinyl)methanamine dihydrochloride IUPAC Name: N-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine dihydrochloride Traditional Name: [3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-(3-pyridylmethyl)amine dihydrochloride Formula: C22H25BrCl2N2O2 MolecularWeight: 500.2561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)CNCC3=CN=CC=C3)OC.Cl.Cl

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)CNCC3=CN=CC=C3)OC.Cl.Cl

InChI

InChI=1S/C22H23BrN2O2.2ClH/c1-16-5-7-17(8-6-16)15-27-22-20(23)10-19(11-21(22)26-2)14-25-13-18-4-3-9-24-12-18;;/h3-12,25H,13-15H2,1-2H3;2*1H