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

Systemtic Name: 6-(butylamino)-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(butylamino)-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-(butylamino)-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(butylamino)-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(butylamino)-3,3-dimethyl-8-phenyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCNC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O/c1-4-5-11-23-20-17(13-22)16-12-21(2,3)25-14-18(16)19(24-20)15-9-7-6-8-10-15/h6-10H,4-5,11-12,14H2,1-3H3,(H,23,24)/p+1