5-ethanoyl-6-methyl-2-(propylamino)pyridin-1-ium-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-(propylamino)pyridin-1-ium-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-(propylamino)pyridin-1-ium-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-(propylamino)-3-pyridin-1-iumcarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-(propylamino)pyridin-1-ium-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-(propylamino)pyridin-1-ium-3-carbonitrile Formula: C12H16N3O+ MolecularWeight: 218.27494

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=[NH+]C(=C(C=C1C#N)C(=O)C)C

Isomeric SMILES

CCCNC1=[NH+]C(=C(C=C1C#N)C(=O)C)C

InChI

InChI=1S/C12H15N3O/c1-4-5-14-12-10(7-13)6-11(9(3)16)8(2)15-12/h6H,4-5H2,1-3H3,(H,14,15)/p+1