7,7-dimethyl-2-(3-methylbutylamino)-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile

Systemtic Name: 7,7-dimethyl-2-(3-methylbutylamino)-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-(isopentylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile CAS Name: 7,7-dimethyl-2-(3-methylbutylamino)-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile IUPAC Name: 7,7-dimethyl-2-(3-methylbutylamino)-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-(isoamylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carbonitrile Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=[NH+]C2=C(COC(C2)(C)C)C=C1C#N

Isomeric SMILES

CC(C)CCNC1=[NH+]C2=C(COC(C2)(C)C)C=C1C#N

InChI

InChI=1S/C16H23N3O/c1-11(2)5-6-18-15-12(9-17)7-13-10-20-16(3,4)8-14(13)19-15/h7,11H,5-6,8,10H2,1-4H3,(H,18,19)/p+1