1-[(4-azanyl-3-iodanyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol dihydrochloride

Systemtic Name: 1-[(4-azanyl-3-iodanyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol dihydrochloride Openeye Name: 1-[(4-amino-3-iodo-phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol dihydrochloride CAS Name: 1-[(4-amino-3-iodophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol dihydrochloride IUPAC Name: 1-[(4-amino-3-iodophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol dihydrochloride Traditional Name: 1-(4-amino-3-iodo-benzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol dihydrochloride Formula: C16H19Cl2IN2O2 MolecularWeight: 469.14473

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)N)I.Cl.Cl

Isomeric SMILES

C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)N)I.Cl.Cl

InChI

InChI=1S/C16H17IN2O2.2ClH/c17-12-5-9(1-2-13(12)18)6-14-11-8-16(21)15(20)7-10(11)3-4-19-14;;/h1-2,5,7-8,14,19-21H,3-4,6,18H2;2*1H