5-nitro-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridin-2-one

Systemtic Name: 5-nitro-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridin-2-one Openeye Name: 5-nitro-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridin-2-one CAS Name: 5-nitro-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-pyridinone IUPAC Name: 5-nitro-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyridin-2-one Traditional Name: 5-nitro-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-pyridone Formula: C15H16N3O3+ MolecularWeight: 286.30584

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O3/c19-15-6-5-14(18(20)21)10-17(15)11-16-8-7-12-3-1-2-4-13(12)9-16/h1-6,10H,7-9,11H2/p+1