(2R)-N-(3-cyanothiophen-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(3-cyanothiophen-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(3-cyano-2-thienyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(3-cyano-2-thiophenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-cyanothiophen-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(3-cyano-2-thienyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C17H21N5OS+2 MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C#N)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H19N5OS/c1-13(16(23)20-17-14(12-18)5-11-24-17)21-7-9-22(10-8-21)15-4-2-3-6-19-15/h2-6,11,13H,7-10H2,1H3,(H,20,23)/p+2/t13-/m1/s1