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

Systemtic Name: 3,3-dimethyl-6-(3-methylbutylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(isopentylamino)-8-isopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-(3-methylbutylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-6-(3-methylbutylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(isoamylamino)-8-isopropyl-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:

CC(C)CCNC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)C(C)C

Isomeric SMILES

CC(C)CCNC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)C(C)C

InChI

InChI=1S/C19H29N3O/c1-12(2)7-8-21-18-15(10-20)14-9-19(5,6)23-11-16(14)17(22-18)13(3)4/h12-13H,7-9,11H2,1-6H3,(H,21,22)/p+1