4-oxidanylidene-4-[[2-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazol-2-ium-3-yl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[2-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazol-2-ium-3-yl]amino]butanoic acid Openeye Name: 4-oxo-4-[[2-[(1R)-1-(2-thienyl)ethyl]-1H-pyrazol-2-ium-3-yl]amino]butanoic acid CAS Name: 4-oxo-4-[[2-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazol-2-ium-3-yl]amino]butanoic acid IUPAC Name: 4-oxo-4-[[2-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazol-2-ium-3-yl]amino]butanoic acid Traditional Name: 4-keto-4-[[2-[(1R)-1-(2-thienyl)ethyl]-1H-pyrazol-2-ium-3-yl]amino]butyric acid Formula: C13H16N3O3S+ MolecularWeight: 294.34944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[N+]2=C(C=CN2)NC(=O)CCC(=O)O

Isomeric SMILES

C[C@H](C1=CC=CS1)[N+]2=C(C=CN2)NC(=O)CCC(=O)O

InChI

InChI=1S/C13H15N3O3S/c1-9(10-3-2-8-20-10)16-11(6-7-14-16)15-12(17)4-5-13(18)19/h2-3,6-9H,4-5H2,1H3,(H2,14,15,17,18,19)/p+1/t9-/m1/s1