2-azanylbutanedioic acid; 1-ethyl-6,8-bis(fluoranyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-3H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 2-azanylbutanedioic acid; 1-ethyl-6,8-bis(fluoranyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-3H-quinolin-1-ium-3-carboxylic acid Openeye Name: 2-aminobutanedioic acid; 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-3H-quinolin-1-ium-3-carboxylic acid CAS Name: 2-aminobutanedioic acid; 1-ethyl-6,8-difluoro-7-(3-methyl-1-piperazinyl)-4-oxo-3H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 2-aminobutanedioic acid; 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-3H-quinolin-1-ium-3-carboxylic acid Traditional Name: 2-aminosuccinic acid; 1-ethyl-6,8-difluoro-4-keto-7-(3-methylpiperazino)-3H-quinolin-1-ium-3-carboxylic acid Formula: C21H27F2N4O7+ MolecularWeight: 485.458486

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

CC[N+]1=CC(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O.C(C(C(=O)O)N)C(=O)O

InChI

InChI=1S/C17H19F2N3O3.C4H7NO4/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22;5-2(4(8)9)1-3(6)7/h6,8-9,11,20H,3-5,7H2,1-2H3;2H,1,5H2,(H,6,7)(H,8,9)/p+1