2-[[2-(5-pyridin-1-ium-1-ylpentanoylsulfanyl)phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-(5-pyridin-1-ium-1-ylpentanoylsulfanyl)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[2-(5-pyridin-1-ium-1-ylpentanoylsulfanyl)benzoyl]amino]acetic acid CAS Name: 2-[[oxo-[2-[[1-oxo-5-(1-pyridin-1-iumyl)pentyl]thio]phenyl]methyl]amino]acetic acid IUPAC Name: 2-[[2-(5-pyridin-1-ium-1-ylpentanoylsulfanyl)benzoyl]amino]acetic acid Traditional Name: 2-[[2-(5-pyridin-1-ium-1-ylpentanoylthio)benzoyl]amino]acetic acid Formula: C19H21N2O4S+ MolecularWeight: 373.44604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCCCC(=O)SC2=CC=CC=C2C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=[N+](C=C1)CCCCC(=O)SC2=CC=CC=C2C(=O)NCC(=O)O

InChI

InChI=1S/C19H20N2O4S/c22-17(23)14-20-19(25)15-8-2-3-9-16(15)26-18(24)10-4-7-13-21-11-5-1-6-12-21/h1-3,5-6,8-9,11-12H,4,7,10,13-14H2,(H-,20,22,23,25)/p+1