2-(butylamino)-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-(butylamino)-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-(butylamino)-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-(butylamino)-4-(methoxymethyl)-6-methyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(butylamino)-4-(methoxymethyl)-6-methylpyridin-1-ium-3-carbonitrile Traditional Name: 2-(butylamino)-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carbonitrile Formula: C13H20N3O+ MolecularWeight: 234.3174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=[NH+]1)C)COC)C#N

Isomeric SMILES

CCCCNC1=C(C(=CC(=[NH+]1)C)COC)C#N

InChI

InChI=1S/C13H19N3O/c1-4-5-6-15-13-12(8-14)11(9-17-3)7-10(2)16-13/h7H,4-6,9H2,1-3H3,(H,15,16)/p+1