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

Systemtic Name: 5-azanyl-2-(butylamino)-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carbonitrile Openeye Name: 5-amino-2-(butylamino)-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carbonitrile CAS Name: 5-amino-2-(butylamino)-4-(methoxymethyl)-6-methyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 5-amino-2-(butylamino)-4-(methoxymethyl)-6-methylpyridin-1-ium-3-carbonitrile Traditional Name: 5-amino-2-(butylamino)-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carbonitrile Formula: C13H21N4O+ MolecularWeight: 249.33204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=[NH+]C(=C(C(=C1C#N)COC)N)C

Isomeric SMILES

CCCCNC1=[NH+]C(=C(C(=C1C#N)COC)N)C

InChI

InChI=1S/C13H20N4O/c1-4-5-6-16-13-10(7-14)11(8-18-3)12(15)9(2)17-13/h4-6,8,15H2,1-3H3,(H,16,17)/p+1