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

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-1-piperidin-4-yl-methanamine dihydrochloride Openeye Name: N-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl]-1-(4-piperidyl)methanamine dihydrochloride CAS Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-(4-piperidinyl)methanamine dihydrochloride IUPAC Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine dihydrochloride Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-(4-piperidylmethyl)amine dihydrochloride Formula: C21H29BrCl2N2O2 MolecularWeight: 492.27716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCC2CCNCC2)Br)OCC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCC2CCNCC2)Br)OCC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C21H27BrN2O2.2ClH/c1-25-20-12-18(14-24-13-16-7-9-23-10-8-16)11-19(22)21(20)26-15-17-5-3-2-4-6-17;;/h2-6,11-12,16,23-24H,7-10,13-15H2,1H3;2*1H