5-azanyl-7-[(3S)-3-azanylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid hydrochloride

Systemtic Name: 5-azanyl-7-[(3S)-3-azanylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid hydrochloride Openeye Name: 5-amino-7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid hydrochloride CAS Name: 5-amino-7-[(3S)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid hydrochloride IUPAC Name: 5-amino-7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid hydrochloride Traditional Name: 5-amino-7-[(3S)-3-aminopyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid hydrochloride Formula: C18H22ClFN4O4 MolecularWeight: 412.843083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)N4CCC(C4)N.Cl

Isomeric SMILES

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)N4CC[C@@H](C4)N.Cl

InChI

InChI=1S/C18H21FN4O4.ClH/c1-27-17-14-11(13(21)12(19)15(17)22-5-4-8(20)6-22)16(24)10(18(25)26)7-23(14)9-2-3-9;/h7-9H,2-6,20-21H2,1H3,(H,25,26);1H/t8-;/m0./s1