2-azanyl-6-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(1R)-2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[(1R)-2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C22H24N5OS+ MolecularWeight: 406.52386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C22H23N5OS/c1-15(29-21-19(14-24)12-18(13-23)20(25)26-21)22(28)27-9-7-17(8-10-27)11-16-5-3-2-4-6-16/h2-6,12,15,17H,7-11H2,1H3,(H2,25,26)/p+1/t15-/m1/s1