N-[(2R)-1-oxidanylidene-3-phenyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2R)-1-oxidanylidene-3-phenyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1R)-1-benzyl-2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide CAS Name: N-[(2R)-1-oxo-3-phenyl-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2R)-1-oxo-3-phenyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1R)-1-benzyl-2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]thiophene-2-carboxamide Formula: C23H25N4O2S+ MolecularWeight: 421.5352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)[C@@H](CC3=CC=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H24N4O2S/c28-22(20-9-6-16-30-20)25-19(17-18-7-2-1-3-8-18)23(29)27-14-12-26(13-15-27)21-10-4-5-11-24-21/h1-11,16,19H,12-15,17H2,(H,25,28)/p+1/t19-/m1/s1