2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-4-nitro-phenolate

Systemtic Name: 2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-4-nitro-phenolate Openeye Name: 2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-4-nitro-phenolate CAS Name: 2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-4-nitrophenolate IUPAC Name: 2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-4-nitrophenolate Traditional Name: 2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-4-nitro-phenolate Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH2+]CCC2=C1)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])OC

InChI

InChI=1S/C17H18N2O5/c1-23-15-7-10-5-6-18-17(12(10)9-16(15)24-2)13-8-11(19(21)22)3-4-14(13)20/h3-4,7-9,17-18,20H,5-6H2,1-2H3/t17-/m0/s1