1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride

Systemtic Name: 1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Openeye Name: 1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride CAS Name: 1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride IUPAC Name: 1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Traditional Name: 1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Formula: C16H17ClN2O5 MolecularWeight: 352.76958

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC(=C(C=C21)O)O)COC3=CC=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

C1CNC(C2=CC(=C(C=C21)O)O)COC3=CC=C(C=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H16N2O5.ClH/c19-15-7-10-5-6-17-14(13(10)8-16(15)20)9-23-12-3-1-11(2-4-12)18(21)22;/h1-4,7-8,14,17,19-20H,5-6,9H2;1H