4-(methoxymethyl)-6-methyl-2-(3-morpholin-4-ium-4-ylpropylamino)-5-nitro-pyridin-1-ium-3-carbonitrile

Systemtic Name: 4-(methoxymethyl)-6-methyl-2-(3-morpholin-4-ium-4-ylpropylamino)-5-nitro-pyridin-1-ium-3-carbonitrile Openeye Name: 4-(methoxymethyl)-6-methyl-2-(3-morpholin-4-ium-4-ylpropylamino)-5-nitro-pyridin-1-ium-3-carbonitrile CAS Name: 4-(methoxymethyl)-6-methyl-2-[3-(4-morpholin-4-iumyl)propylamino]-5-nitro-3-pyridin-1-iumcarbonitrile IUPAC Name: 4-(methoxymethyl)-6-methyl-2-(3-morpholin-4-ium-4-ylpropylamino)-5-nitropyridin-1-ium-3-carbonitrile Traditional Name: 4-(methoxymethyl)-6-methyl-2-(3-morpholin-4-ium-4-ylpropylamino)-5-nitro-pyridin-1-ium-3-carbonitrile Formula: C16H25N5O4+2 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=[NH+]1)NCCC[NH+]2CCOCC2)C#N)COC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C(=[NH+]1)NCCC[NH+]2CCOCC2)C#N)COC)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O4/c1-12-15(21(22)23)14(11-24-2)13(10-17)16(19-12)18-4-3-5-20-6-8-25-9-7-20/h3-9,11H2,1-2H3,(H,18,19)/p+2