N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine dihydrochloride

Systemtic Name: N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine dihydrochloride Openeye Name: N-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine dihydrochloride CAS Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(1-ethyl-2-pyrrolidinyl)methanamine dihydrochloride IUPAC Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine dihydrochloride Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-[(1-ethylpyrrolidin-2-yl)methyl]amine dihydrochloride Formula: C23H33BrCl2N2O2 MolecularWeight: 520.33032

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNCC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OCC.Cl.Cl

Isomeric SMILES

CCN1CCCC1CNCC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OCC.Cl.Cl

InChI

InChI=1S/C23H31BrN2O2.2ClH/c1-3-26-12-8-11-20(26)16-25-15-19-13-21(24)23(22(14-19)27-4-2)28-17-18-9-6-5-7-10-18;;/h5-7,9-10,13-14,20,25H,3-4,8,11-12,15-17H2,1-2H3;2*1H