4-[(1R)-2-azaniumyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-nitro-phenolate

Systemtic Name: 4-[(1R)-2-azaniumyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-nitro-phenolate Openeye Name: 4-[(1R)-2-azaniumyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-nitro-phenolate CAS Name: 4-[(1R)-2-ammonio-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-nitrophenolate IUPAC Name: 4-[(1R)-2-azaniumyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-nitrophenolate Traditional Name: 4-[(1R)-2-ammonio-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-nitro-phenolate Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(C[NH3+])C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)[C@@H](C[NH3+])C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O3/c18-10-16(13-5-6-17(21)15(9-13)20(22)23)19-8-7-12-3-1-2-4-14(12)11-19/h1-6,9,16,21H,7-8,10-11,18H2/t16-/m0/s1