7-[(4R)-4-azanyl-3,3-dimethyl-piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid hydrate hydrochloride

Systemtic Name: 7-[(4R)-4-azanyl-3,3-dimethyl-piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid hydrate hydrochloride Openeye Name: 7-[(4R)-4-amino-3,3-dimethyl-1-piperidyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid hydrate hydrochloride CAS Name: 7-[(4R)-4-amino-3,3-dimethyl-1-piperidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid hydrate hydrochloride IUPAC Name: 7-[(4R)-4-amino-3,3-dimethylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid hydrate hydrochloride Traditional Name: 7-[(4R)-4-amino-3,3-dimethyl-piperidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid hydrate hydrochloride Formula: C21H29ClFN3O5 MolecularWeight: 457.923463

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCC1N)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)C.O.Cl

Isomeric SMILES

CC1(CN(CC[C@H]1N)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)C.O.Cl

InChI

InChI=1S/C21H26FN3O4.ClH.H2O/c1-21(2)10-24(7-6-15(21)23)17-14(22)8-12-16(19(17)29-3)25(11-4-5-11)9-13(18(12)26)20(27)28;;/h8-9,11,15H,4-7,10,23H2,1-3H3,(H,27,28);1H;1H2/t15-;;/m1../s1