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

Systemtic Name: 3,3-dimethyl-8-(2-methylpropyl)-6-(phenethylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-isobutyl-3,3-dimethyl-6-(phenethylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-8-(2-methylpropyl)-6-(phenethylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-8-(2-methylpropyl)-6-(phenethylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-isobutyl-3,3-dimethyl-6-(phenethylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C23H30N3O+ MolecularWeight: 364.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C2COC(CC2=C(C(=[NH+]1)NCCC3=CC=CC=C3)C#N)(C)C

Isomeric SMILES

CC(C)CC1=C2COC(CC2=C(C(=[NH+]1)NCCC3=CC=CC=C3)C#N)(C)C

InChI

InChI=1S/C23H29N3O/c1-16(2)12-21-20-15-27-23(3,4)13-18(20)19(14-24)22(26-21)25-11-10-17-8-6-5-7-9-17/h5-9,16H,10-13,15H2,1-4H3,(H,25,26)/p+1