7-[(3R,4R)-3,4-bis(methylamino)pyrrolidin-1-yl]-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid chloride

Systemtic Name: 7-[(3R,4R)-3,4-bis(methylamino)pyrrolidin-1-yl]-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid chloride Openeye Name: 7-[(3R,4R)-3,4-bis(methylamino)pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid chloride CAS Name: 7-[(3R,4R)-3,4-bis(methylamino)-1-pyrrolidinyl]-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid chloride IUPAC Name: 7-[(3R,4R)-3,4-bis(methylamino)pyrrolidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid chloride Traditional Name: 7-[(3R,4R)-3,4-bis(methylamino)pyrrolidino]-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid chloride Formula: C18H22ClF2N4O3- MolecularWeight: 415.842086

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CC(C(C3)NC)NC)F)C(=O)O.[Cl-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3C[C@H]([C@@H](C3)NC)NC)F)C(=O)O.[Cl-]

InChI

InChI=1S/C18H22F2N4O3.ClH/c1-4-23-6-10(18(26)27)17(25)9-5-11(19)16(14(20)15(9)23)24-7-12(21-2)13(8-24)22-3;/h5-6,12-13,21-22H,4,7-8H2,1-3H3,(H,26,27);1H/p-1/t12-,13-;/m1./s1