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

Systemtic Name: 2-azanyl-6-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-[(2S)-2-ethylpiperidino]-2-keto-ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C16H20N5OS+ MolecularWeight: 330.4279

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C16H19N5OS/c1-2-13-5-3-4-6-21(13)14(22)10-23-16-12(9-18)7-11(8-17)15(19)20-16/h7,13H,2-6,10H2,1H3,(H2,19,20)/p+1/t13-/m0/s1