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

Systemtic Name: 6-ethylsulfanyl-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-ethylsulfanyl-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 6-(ethylthio)-3,3-dimethyl-8-(1-piperazin-4-iumyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-ethylsulfanyl-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(ethylthio)-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C17H26N4OS+2 MolecularWeight: 334.47954

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)N3CC[NH2+]CC3

Isomeric SMILES

CCSC1=[NH+]C(=C2COC(CC2=C1C#N)(C)C)N3CC[NH2+]CC3

InChI

InChI=1S/C17H24N4OS/c1-4-23-16-13(10-18)12-9-17(2,3)22-11-14(12)15(20-16)21-7-5-19-6-8-21/h19H,4-9,11H2,1-3H3/p+2