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

Systemtic Name: 4-(methoxymethyl)-6-methyl-5-nitro-2-(pyridin-3-ylmethylamino)pyridin-1-ium-3-carbonitrile Openeye Name: 4-(methoxymethyl)-6-methyl-5-nitro-2-(3-pyridylmethylamino)pyridin-1-ium-3-carbonitrile CAS Name: 4-(methoxymethyl)-6-methyl-5-nitro-2-(3-pyridinylmethylamino)-3-pyridin-1-iumcarbonitrile IUPAC Name: 4-(methoxymethyl)-6-methyl-5-nitro-2-(pyridin-3-ylmethylamino)pyridin-1-ium-3-carbonitrile Traditional Name: 4-(methoxymethyl)-6-methyl-5-nitro-2-(3-pyridylmethylamino)pyridin-1-ium-3-carbonitrile Formula: C15H16N5O3+ MolecularWeight: 314.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=[NH+]1)NCC2=CN=CC=C2)C#N)COC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C(=[NH+]1)NCC2=CN=CC=C2)C#N)COC)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O3/c1-10-14(20(21)22)13(9-23-2)12(6-16)15(19-10)18-8-11-4-3-5-17-7-11/h3-5,7H,8-9H2,1-2H3,(H,18,19)/p+1