2-azanyl-4-(cyanomethyl)-6-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-[(3S)-3-hydroxy-1-piperidinyl]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3,5-dicarbonitrile Formula: C14H15N6O+ MolecularWeight: 283.3085

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N)O

InChI

InChI=1S/C14H14N6O/c15-4-3-10-11(6-16)13(18)19-14(12(10)7-17)20-5-1-2-9(21)8-20/h9,21H,1-3,5,8H2,(H2,18,19)/p+1/t9-/m0/s1