(2R)-N-(3-cyanothiophen-2-yl)-2-piperidin-1-ium-1-yl-propanamide

Systemtic Name: (2R)-N-(3-cyanothiophen-2-yl)-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2R)-N-(3-cyano-2-thienyl)-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2R)-N-(3-cyano-2-thiophenyl)-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2R)-N-(3-cyanothiophen-2-yl)-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2R)-N-(3-cyano-2-thienyl)-2-piperidin-1-ium-1-yl-propionamide Formula: C13H18N3OS+ MolecularWeight: 264.36652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)[NH+]2CCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C#N)[NH+]2CCCCC2

InChI

InChI=1S/C13H17N3OS/c1-10(16-6-3-2-4-7-16)12(17)15-13-11(9-14)5-8-18-13/h5,8,10H,2-4,6-7H2,1H3,(H,15,17)/p+1/t10-/m1/s1