2-[(5-cyano-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]ethanamide

Systemtic Name: 2-[(5-cyano-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-cyano-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]acetamide CAS Name: 2-[[5-cyano-3,3-dimethyl-8-(1-piperazin-4-iumyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl]thio]acetamide IUPAC Name: 2-[(5-cyano-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)sulfanyl]acetamide Traditional Name: 2-[(5-cyano-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)thio]acetamide Formula: C17H25N5O2S+2 MolecularWeight: 363.4777

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CC[NH2+]CC3)SCC(=O)N)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CO1)N3CC[NH2+]CC3)SCC(=O)N)C#N)C

InChI

InChI=1S/C17H23N5O2S/c1-17(2)7-11-12(8-18)16(25-10-14(19)23)21-15(13(11)9-24-17)22-5-3-20-4-6-22/h20H,3-7,9-10H2,1-2H3,(H2,19,23)/p+2