3,3-dimethyl-6-[[(2R)-oxolan-2-yl]methylamino]-8-propyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 3,3-dimethyl-6-[[(2R)-oxolan-2-yl]methylamino]-8-propyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 3,3-dimethyl-8-propyl-6-[[(2R)-tetrahydrofuran-2-yl]methylamino]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-6-[[(2R)-2-oxolanyl]methylamino]-8-propyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 3,3-dimethyl-6-[[(2R)-oxolan-2-yl]methylamino]-8-propyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 3,3-dimethyl-8-propyl-6-[[(2R)-tetrahydrofuran-2-yl]methylamino]-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C19H28N3OS+ MolecularWeight: 346.51012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CSC(CC2=C(C(=[NH+]1)NCC3CCCO3)C#N)(C)C

Isomeric SMILES

CCCC1=C2CSC(CC2=C(C(=[NH+]1)NC[C@H]3CCCO3)C#N)(C)C

InChI

InChI=1S/C19H27N3OS/c1-4-6-17-16-12-24-19(2,3)9-14(16)15(10-20)18(22-17)21-11-13-7-5-8-23-13/h13H,4-9,11-12H2,1-3H3,(H,21,22)/p+1/t13-/m1/s1