1-(aminomethyl)-3-(1-phenethylpiperidin-4-yl)-3,4-dihydro-1H-isochromene-5,6-diol dihydrobromide

Systemtic Name: 1-(aminomethyl)-3-(1-phenethylpiperidin-4-yl)-3,4-dihydro-1H-isochromene-5,6-diol dihydrobromide Openeye Name: 1-(aminomethyl)-3-(1-phenethyl-4-piperidyl)isochromane-5,6-diol dihydrobromide CAS Name: 1-(aminomethyl)-3-(1-phenethyl-4-piperidinyl)-3,4-dihydro-1H-2-benzopyran-5,6-diol dihydrobromide IUPAC Name: 1-(aminomethyl)-3-(1-phenethylpiperidin-4-yl)-3,4-dihydro-1H-isochromene-5,6-diol dihydrobromide Traditional Name: 1-(aminomethyl)-3-(1-phenethyl-4-piperidyl)isochroman-5,6-diol dihydrobromide Formula: C23H32Br2N2O3 MolecularWeight: 544.31978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CC3=C(C=CC(=C3O)O)C(O2)CN)CCC4=CC=CC=C4.Br.Br

Isomeric SMILES

C1CN(CCC1C2CC3=C(C=CC(=C3O)O)C(O2)CN)CCC4=CC=CC=C4.Br.Br

InChI

InChI=1S/C23H30N2O3.2BrH/c24-15-22-18-6-7-20(26)23(27)19(18)14-21(28-22)17-9-12-25(13-10-17)11-8-16-4-2-1-3-5-16;;/h1-7,17,21-22,26-27H,8-15,24H2;2*1H