8-[(3S)-3-azanylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid hydrate hydrochloride

Systemtic Name: 8-[(3S)-3-azanylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid hydrate hydrochloride Openeye Name: 8-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid hydrate hydrochloride CAS Name: 8-[(3S)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-3-quinolizinecarboxylic acid hydrate hydrochloride IUPAC Name: 8-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid hydrate hydrochloride Traditional Name: 8-[(3S)-3-aminopyrrolidino]-1-cyclopropyl-7-fluoro-4-keto-9-methyl-quinolizine-3-carboxylic acid hydrate hydrochloride Formula: C18H23ClFN3O4 MolecularWeight: 399.844323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC(C4)N.O.Cl

Isomeric SMILES

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC[C@@H](C4)N.O.Cl

InChI

InChI=1S/C18H20FN3O3.ClH.H2O/c1-9-15-12(10-2-3-10)6-13(18(24)25)17(23)22(15)8-14(19)16(9)21-5-4-11(20)7-21;;/h6,8,10-11H,2-5,7,20H2,1H3,(H,24,25);1H;1H2/t11-;;/m0../s1