8-ethyl-3,3-dimethyl-6-piperazin-4-ium-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 8-ethyl-3,3-dimethyl-6-piperazin-4-ium-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 8-ethyl-3,3-dimethyl-6-piperazin-4-ium-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 8-ethyl-3,3-dimethyl-6-(1-piperazin-4-iumyl)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 8-ethyl-3,3-dimethyl-6-piperazin-4-ium-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 8-ethyl-3,3-dimethyl-6-piperazin-4-ium-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C17H26N4S+2 MolecularWeight: 318.48014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CSC(CC2=C(C(=[NH+]1)N3CC[NH2+]CC3)C#N)(C)C

Isomeric SMILES

CCC1=C2CSC(CC2=C(C(=[NH+]1)N3CC[NH2+]CC3)C#N)(C)C

InChI

InChI=1S/C17H24N4S/c1-4-15-14-11-22-17(2,3)9-12(14)13(10-18)16(20-15)21-7-5-19-6-8-21/h19H,4-9,11H2,1-3H3/p+2