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

Systemtic Name: 8-butyl-3,3-dimethyl-6-(phenethylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-butyl-3,3-dimethyl-6-(phenethylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-butyl-3,3-dimethyl-6-(phenethylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-butyl-3,3-dimethyl-6-(phenethylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-butyl-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:

CCCCC1=C2COC(CC2=C(C(=[NH+]1)NCCC3=CC=CC=C3)C#N)(C)C

Isomeric SMILES

CCCCC1=C2COC(CC2=C(C(=[NH+]1)NCCC3=CC=CC=C3)C#N)(C)C

InChI

InChI=1S/C23H29N3O/c1-4-5-11-21-20-16-27-23(2,3)14-18(20)19(15-24)22(26-21)25-13-12-17-9-7-6-8-10-17/h6-10H,4-5,11-14,16H2,1-3H3,(H,25,26)/p+1