carbonic acid; (3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine; dihydrobromide

Systemtic Name: carbonic acid; (3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine; dihydrobromide Openeye Name: carbonic acid; (3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine; dihydrobromide CAS Name: carbonic acid; (3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-1-propanamine; dihydrobromide IUPAC Name: carbonic acid; (3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine; dihydrobromide Traditional Name: carbonic acid; methyl-[(3R)-3-(2-methylphenoxy)-3-phenyl-propyl]amine; dihydrobromide Formula: C35H46Br2N2O5 MolecularWeight: 734.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2.CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2.C(=O)(O)O.Br.Br

Isomeric SMILES

CC1=CC=CC=C1O[C@H](CCNC)C2=CC=CC=C2.CC1=CC=CC=C1O[C@H](CCNC)C2=CC=CC=C2.C(=O)(O)O.Br.Br

InChI

InChI=1S/2C17H21NO.CH2O3.2BrH/c2*1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;2-1(3)4;;/h2*3-11,17-18H,12-13H2,1-2H3;(H2,2,3,4);2*1H/t2*17-;;;/m11.../s1