2-azanyl-4-(cyanomethyl)-6-[(3R)-3-(hydroxymethyl)piperidin-1-yl]pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-[(3R)-3-(hydroxymethyl)piperidin-1-yl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-[(3R)-3-(hydroxymethyl)-1-piperidyl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-[(3R)-3-(hydroxymethyl)-1-piperidinyl]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-[(3R)-3-(hydroxymethyl)piperidin-1-yl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-[(3R)-3-methylolpiperidino]pyridin-1-ium-3,5-dicarbonitrile Formula: C15H17N6O+ MolecularWeight: 297.33508

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C15H16N6O/c16-4-3-11-12(6-17)14(19)20-15(13(11)7-18)21-5-1-2-10(8-21)9-22/h10,22H,1-3,5,8-9H2,(H2,19,20)/p+1/t10-/m1/s1