8-[5-(aminomethyl)-4-fluoranyl-thiophen-2-yl]-1-cyclopropyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 8-[5-(aminomethyl)-4-fluoranyl-thiophen-2-yl]-1-cyclopropyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 8-[5-(aminomethyl)-4-fluoro-2-thienyl]-1-cyclopropyl-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 8-[5-(aminomethyl)-4-fluoro-2-thiophenyl]-1-cyclopropyl-9-methyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 8-[5-(aminomethyl)-4-fluorothiophen-2-yl]-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 8-[5-(aminomethyl)-4-fluoro-2-thienyl]-1-cyclopropyl-4-keto-9-methyl-quinolizine-3-carboxylic acid Formula: C19H17FN2O3S MolecularWeight: 372.413283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)C4=CC(=C(S4)CN)F

Isomeric SMILES

CC1=C(C=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)C4=CC(=C(S4)CN)F

InChI

InChI=1S/C19H17FN2O3S/c1-9-11(15-7-14(20)16(8-21)26-15)4-5-22-17(9)12(10-2-3-10)6-13(18(22)23)19(24)25/h4-7,10H,2-3,8,21H2,1H3,(H,24,25)