1-ethyl-6-fluoranyl-4-oxidanylidene-7-(phenylmethyl)-1-pyrrolidin-3-yl-1,8-naphthyridin-1-ium-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-(phenylmethyl)-1-pyrrolidin-3-yl-1,8-naphthyridin-1-ium-3-carboxylic acid Openeye Name: 7-benzyl-1-ethyl-6-fluoro-4-oxo-1-pyrrolidin-3-yl-1,8-naphthyridin-1-ium-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-(phenylmethyl)-1-(3-pyrrolidinyl)-1,8-naphthyridin-1-ium-3-carboxylic acid IUPAC Name: 7-benzyl-1-ethyl-6-fluoro-4-oxo-1-pyrrolidin-3-yl-1,8-naphthyridin-1-ium-3-carboxylic acid Traditional Name: 7-benzyl-1-ethyl-6-fluoro-4-keto-1-pyrrolidin-3-yl-1,8-naphthyridin-1-ium-3-carboxylic acid Formula: C22H23FN3O3+ MolecularWeight: 396.434723

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=C(C(=O)C2=CC(=C(N=C21)CC3=CC=CC=C3)F)C(=O)O)C4CCNC4

Isomeric SMILES

CC[N+]1(C=C(C(=O)C2=CC(=C(N=C21)CC3=CC=CC=C3)F)C(=O)O)C4CCNC4

InChI

InChI=1S/C22H22FN3O3/c1-2-26(15-8-9-24-12-15)13-17(22(28)29)20(27)16-11-18(23)19(25-21(16)26)10-14-6-4-3-5-7-14/h3-7,11,13,15,24H,2,8-10,12H2,1H3/p+1