(2S)-1-[6-chloranyl-4-(4-methoxyphenyl)-3-oxidanylidene-2H-pyrazin-4-ium-2-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[6-chloranyl-4-(4-methoxyphenyl)-3-oxidanylidene-2H-pyrazin-4-ium-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[6-chloro-4-(4-methoxyphenyl)-3-oxo-2H-pyrazin-4-ium-2-yl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[6-chloro-4-(4-methoxyphenyl)-3-oxo-2H-pyrazin-4-ium-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[6-chloro-4-(4-methoxyphenyl)-3-oxo-2H-pyrazin-4-ium-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[6-chloro-3-keto-4-(4-methoxyphenyl)-2H-pyrazin-4-ium-2-yl]proline Formula: C16H17ClN3O4+ MolecularWeight: 350.77688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[N+]2=CC(=NC(C2=O)N3CCCC3C(=O)O)Cl

Isomeric SMILES

COC1=CC=C(C=C1)[N+]2=CC(=NC(C2=O)N3CCC[C@H]3C(=O)O)Cl

InChI

InChI=1S/C16H16ClN3O4/c1-24-11-6-4-10(5-7-11)20-9-13(17)18-14(15(20)21)19-8-2-3-12(19)16(22)23/h4-7,9,12,14H,2-3,8H2,1H3/p+1/t12-,14?/m0/s1