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

Systemtic Name: 8-butyl-3,3-dimethyl-6-[(phenylmethyl)amino]-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(benzylamino)-8-butyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-butyl-3,3-dimethyl-6-[(phenylmethyl)amino]-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(benzylamino)-8-butyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(benzylamino)-8-butyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C22H28N3O+ MolecularWeight: 350.47722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2COC(CC2=C(C(=[NH+]1)NCC3=CC=CC=C3)C#N)(C)C

Isomeric SMILES

CCCCC1=C2COC(CC2=C(C(=[NH+]1)NCC3=CC=CC=C3)C#N)(C)C

InChI

InChI=1S/C22H27N3O/c1-4-5-11-20-19-15-26-22(2,3)12-17(19)18(13-23)21(25-20)24-14-16-9-7-6-8-10-16/h6-10H,4-5,11-12,14-15H2,1-3H3,(H,24,25)/p+1