4,6-dimethyl-5-nitro-2-(3-oxidanylpropylamino)pyridin-1-ium-3-carbonitrile

Systemtic Name: 4,6-dimethyl-5-nitro-2-(3-oxidanylpropylamino)pyridin-1-ium-3-carbonitrile Openeye Name: 2-(3-hydroxypropylamino)-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile CAS Name: 2-(3-hydroxypropylamino)-4,6-dimethyl-5-nitro-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(3-hydroxypropylamino)-4,6-dimethyl-5-nitropyridin-1-ium-3-carbonitrile Traditional Name: 2-(3-hydroxypropylamino)-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile Formula: C11H15N4O3+ MolecularWeight: 251.2618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)NCCCO)C#N

Isomeric SMILES

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)NCCCO)C#N

InChI

InChI=1S/C11H14N4O3/c1-7-9(6-12)11(13-4-3-5-16)14-8(2)10(7)15(17)18/h16H,3-5H2,1-2H3,(H,13,14)/p+1