2-(4-nitropyridin-3-yl)-2-oxidanidyl-3,4-dihydro-1H-isoquinolin-2-ium

Systemtic Name: 2-(4-nitropyridin-3-yl)-2-oxidanidyl-3,4-dihydro-1H-isoquinolin-2-ium Openeye Name: 2-(4-nitro-3-pyridyl)-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium CAS Name: 2-(4-nitro-3-pyridinyl)-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium IUPAC Name: 2-(4-nitropyridin-3-yl)-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium Traditional Name: 2-(4-nitro-3-pyridyl)-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CC2=CC=CC=C21)(C3=C(C=CN=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1C[N+](CC2=CC=CC=C21)(C3=C(C=CN=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H13N3O3/c18-16(19)13-5-7-15-9-14(13)17(20)8-6-11-3-1-2-4-12(11)10-17/h1-5,7,9H,6,8,10H2