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

Systemtic Name: 6-(butylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(butylamino)-8-isopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-(butylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(butylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(butylamino)-8-isopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O/c1-6-7-8-20-17-14(10-19)13-9-18(4,5)22-11-15(13)16(21-17)12(2)3/h12H,6-9,11H2,1-5H3,(H,20,21)/p+1