2-methoxy-6-nitro-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate

Systemtic Name: 2-methoxy-6-nitro-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate Openeye Name: 2-methoxy-6-nitro-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate CAS Name: 2-methoxy-6-nitro-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate IUPAC Name: 2-methoxy-6-nitro-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate Traditional Name: 2-methoxy-6-nitro-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H18N2O4/c1-23-16-9-12(8-15(17(16)20)19(21)22)10-18-7-6-13-4-2-3-5-14(13)11-18/h2-5,8-9,20H,6-7,10-11H2,1H3