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

Systemtic Name: 6-(cyclohexylamino)-3,3-dimethyl-8-phenyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(cyclohexylamino)-3,3-dimethyl-8-phenyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-(cyclohexylamino)-3,3-dimethyl-8-phenyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(cyclohexylamino)-3,3-dimethyl-8-phenyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(cyclohexylamino)-3,3-dimethyl-8-phenyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C23H28N3S+ MolecularWeight: 378.55352

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CS1)C3=CC=CC=C3)NC4CCCCC4)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CS1)C3=CC=CC=C3)NC4CCCCC4)C#N)C

InChI

InChI=1S/C23H27N3S/c1-23(2)13-18-19(14-24)22(25-17-11-7-4-8-12-17)26-21(20(18)15-27-23)16-9-5-3-6-10-16/h3,5-6,9-10,17H,4,7-8,11-13,15H2,1-2H3,(H,25,26)/p+1