[5-acetyloxy-1-(aminomethyl)-3-(1-phenethylpiperidin-4-yl)-3,4-dihydro-1H-isochromen-6-yl] ethanoate dihydrobromide

Systemtic Name: [5-acetyloxy-1-(aminomethyl)-3-(1-phenethylpiperidin-4-yl)-3,4-dihydro-1H-isochromen-6-yl] ethanoate dihydrobromide Openeye Name: [5-acetoxy-1-(aminomethyl)-3-(1-phenethyl-4-piperidyl)isochroman-6-yl] acetate dihydrobromide CAS Name: acetic acid [5-acetyloxy-1-(aminomethyl)-3-(1-phenethyl-4-piperidinyl)-3,4-dihydro-1H-2-benzopyran-6-yl] ester dihydrobromide IUPAC Name: [5-acetyloxy-1-(aminomethyl)-3-(1-phenethylpiperidin-4-yl)-3,4-dihydro-1H-isochromen-6-yl] acetate dihydrobromide Traditional Name: acetic acid [5-acetoxy-1-(aminomethyl)-3-(1-phenethyl-4-piperidyl)isochroman-6-yl] ester dihydrobromide Formula: C27H36Br2N2O5 MolecularWeight: 628.39314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=C(C=C1)C(OC(C2)C3CCN(CC3)CCC4=CC=CC=C4)CN)OC(=O)C.Br.Br

Isomeric SMILES

CC(=O)OC1=C(C2=C(C=C1)C(OC(C2)C3CCN(CC3)CCC4=CC=CC=C4)CN)OC(=O)C.Br.Br

InChI

InChI=1S/C27H34N2O5.2BrH/c1-18(30)32-24-9-8-22-23(27(24)33-19(2)31)16-25(34-26(22)17-28)21-11-14-29(15-12-21)13-10-20-6-4-3-5-7-20;;/h3-9,21,25-26H,10-17,28H2,1-2H3;2*1H