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

Systemtic Name: 8-ethyl-3,3-dimethyl-6-[(phenylmethyl)amino]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-(benzylamino)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-ethyl-3,3-dimethyl-6-[(phenylmethyl)amino]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-(benzylamino)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(benzylamino)-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C20H24N3S+ MolecularWeight: 338.48966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CSC(CC2=C(C(=[NH+]1)NCC3=CC=CC=C3)C#N)(C)C

Isomeric SMILES

CCC1=C2CSC(CC2=C(C(=[NH+]1)NCC3=CC=CC=C3)C#N)(C)C

InChI

InChI=1S/C20H23N3S/c1-4-18-17-13-24-20(2,3)10-15(17)16(11-21)19(23-18)22-12-14-8-6-5-7-9-14/h5-9H,4,10,12-13H2,1-3H3,(H,22,23)/p+1