1-nitro-N-[2-(1-oxidanylidene-2H-pyridin-1-ium-2-yl)ethyl]acridin-9-amine hydrochloride

Systemtic Name: 1-nitro-N-[2-(1-oxidanylidene-2H-pyridin-1-ium-2-yl)ethyl]acridin-9-amine hydrochloride Openeye Name: 1-nitro-N-[2-(1-oxo-2H-pyridin-1-ium-2-yl)ethyl]acridin-9-amine hydrochloride CAS Name: 1-nitro-N-[2-(1-oxo-2H-pyridin-1-ium-2-yl)ethyl]-9-acridinamine hydrochloride IUPAC Name: 1-nitro-N-[2-(1-oxo-2H-pyridin-1-ium-2-yl)ethyl]acridin-9-amine hydrochloride Traditional Name: 2-(1-keto-2H-pyridin-1-ium-2-yl)ethyl-(1-nitroacridin-9-yl)amine hydrochloride Formula: C20H18ClN4O3+ MolecularWeight: 397.83492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCC4C=CC=C[N+]4=O.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCC4C=CC=C[N+]4=O.Cl

InChI

InChI=1S/C20H17N4O3.ClH/c25-23-13-4-3-6-14(23)11-12-21-20-15-7-1-2-8-16(15)22-17-9-5-10-18(19(17)20)24(26)27;/h1-10,13-14H,11-12H2,(H,21,22);1H/q+1;