2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl)amino]ethylazanium

Systemtic Name: 2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl)amino]ethylazanium Openeye Name: 2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl)amino]ethylammonium CAS Name: 2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl)amino]ethylammonium IUPAC Name: 2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl)amino]ethylazanium Traditional Name: 2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl)amino]ethylammonium Formula: C17H28N4S+2 MolecularWeight: 320.49602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CSC(CC2=C(C(=[NH+]1)NCC[NH3+])C#N)(C)C

Isomeric SMILES

CCCCC1=C2CSC(CC2=C(C(=[NH+]1)NCC[NH3+])C#N)(C)C

InChI

InChI=1S/C17H26N4S/c1-4-5-6-15-14-11-22-17(2,3)9-12(14)13(10-19)16(21-15)20-8-7-18/h4-9,11,18H2,1-3H3,(H,20,21)/p+2