6-(butylamino)-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 6-(butylamino)-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(butylamino)-8-isobutyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-(butylamino)-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(butylamino)-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(butylamino)-8-isobutyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C19H30N3O+ MolecularWeight: 316.461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)CC(C)C

Isomeric SMILES

CCCCNC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)CC(C)C

InChI

InChI=1S/C19H29N3O/c1-6-7-8-21-18-15(11-20)14-10-19(4,5)23-12-16(14)17(22-18)9-13(2)3/h13H,6-10,12H2,1-5H3,(H,21,22)/p+1