3-nitro-1-pyridin-1-ium-1-yl-isoquinolin-4-ol

Systemtic Name: 3-nitro-1-pyridin-1-ium-1-yl-isoquinolin-4-ol Openeye Name: 3-nitro-1-pyridin-1-ium-1-yl-isoquinolin-4-ol CAS Name: 3-nitro-1-(1-pyridin-1-iumyl)-4-isoquinolinol IUPAC Name: 3-nitro-1-pyridin-1-ium-1-ylisoquinolin-4-ol Traditional Name: 3-nitro-1-pyridin-1-ium-1-yl-isoquinolin-4-ol Formula: C14H10N3O3+ MolecularWeight: 268.2475

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=NC(=C(C3=CC=CC=C32)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=[N+](C=C1)C2=NC(=C(C3=CC=CC=C32)O)[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O3/c18-12-10-6-2-3-7-11(10)13(15-14(12)17(19)20)16-8-4-1-5-9-16/h1-9H/p+1