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

Systemtic Name: 6-(cyclohexylamino)-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(cyclohexylamino)-8-isobutyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-(cyclohexylamino)-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(cyclohexylamino)-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(cyclohexylamino)-8-isobutyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C21H32N3O+ MolecularWeight: 342.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C2COC(CC2=C(C(=[NH+]1)NC3CCCCC3)C#N)(C)C

Isomeric SMILES

CC(C)CC1=C2COC(CC2=C(C(=[NH+]1)NC3CCCCC3)C#N)(C)C

InChI

InChI=1S/C21H31N3O/c1-14(2)10-19-18-13-25-21(3,4)11-16(18)17(12-22)20(24-19)23-15-8-6-5-7-9-15/h14-15H,5-11,13H2,1-4H3,(H,23,24)/p+1