(2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)propanamide

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)propanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-indan-5-yl-propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(2,3-dihydro-1H-inden-5-yl)propanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)propanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-indan-5-yl-propionamide Formula: C19H18N5OS+ MolecularWeight: 364.44412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)SC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(CCC2)C=C1)SC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C19H17N5OS/c1-11(26-19-15(10-21)7-14(9-20)17(22)24-19)18(25)23-16-6-5-12-3-2-4-13(12)8-16/h5-8,11H,2-4H2,1H3,(H2,22,24)(H,23,25)/p+1/t11-/m1/s1