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

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

Systemtic Name:1-(aminomethyl)-3-(1-ethylpiperidin-4-yl)-3,4-dihydro-1H-isochromene-5,6-diol dihydrobromide
Openeye Name:1-(aminomethyl)-3-(1-ethyl-4-piperidyl)isochromane-5,6-diol dihydrobromide
CAS Name:1-(aminomethyl)-3-(1-ethyl-4-piperidinyl)-3,4-dihydro-1H-2-benzopyran-5,6-diol dihydrobromide
IUPAC Name:1-(aminomethyl)-3-(1-ethylpiperidin-4-yl)-3,4-dihydro-1H-isochromene-5,6-diol dihydrobromide
Traditional Name:1-(aminomethyl)-3-(1-ethyl-4-piperidyl)isochroman-5,6-diol dihydrobromide
Formula: C17H28Br2N2O3
MolecularWeight: 468.22382
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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)C2CC3=C(C=CC(=C3O)O)C(O2)CN.Br.Br


Isomeric SMILES

CCN1CCC(CC1)C2CC3=C(C=CC(=C3O)O)C(O2)CN.Br.Br


InChI

InChI=1S/C17H26N2O3.2BrH/c1-2-19-7-5-11(6-8-19)15-9-13-12(16(10-18)22-15)3-4-14(20)17(13)21;;/h3-4,11,15-16,20-21H,2,5-10,18H2,1H3;2*1H


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