2-azanyl-6-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-keto-2-[(3S)-3-methylpiperidino]ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C15H18N5OS+ MolecularWeight: 316.40132

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C15H17N5OS/c1-10-3-2-4-20(8-10)13(21)9-22-15-12(7-17)5-11(6-16)14(18)19-15/h5,10H,2-4,8-9H2,1H3,(H2,18,19)/p+1/t10-/m0/s1