(4R)-4-cyclopropyl-7-fluoranyl-5-methoxy-6-[(3S)-3-(methylazaniumyl)piperidin-1-yl]-1-oxidanylidene-4H-naphthalene-2-carboxylate

Systemtic Name: (4R)-4-cyclopropyl-7-fluoranyl-5-methoxy-6-[(3S)-3-(methylazaniumyl)piperidin-1-yl]-1-oxidanylidene-4H-naphthalene-2-carboxylate Openeye Name: (4R)-4-cyclopropyl-7-fluoro-5-methoxy-6-[(3S)-3-(methylammonio)-1-piperidyl]-1-oxo-4H-naphthalene-2-carboxylate CAS Name: (4R)-4-cyclopropyl-7-fluoro-5-methoxy-6-[(3S)-3-(methylammonio)-1-piperidinyl]-1-oxo-4H-naphthalene-2-carboxylate IUPAC Name: (4R)-4-cyclopropyl-7-fluoro-5-methoxy-6-[(3S)-3-(methylazaniumyl)piperidin-1-yl]-1-oxo-4H-naphthalene-2-carboxylate Traditional Name: (4R)-4-cyclopropyl-7-fluoro-1-keto-5-methoxy-6-[(3S)-3-(methylammonio)piperidino]-4H-naphthalene-2-carboxylate Formula: C21H25FN2O4 MolecularWeight: 388.432603

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1CCCN(C1)C2=C(C=C3C(=C2OC)C(C=C(C3=O)C(=O)[O-])C4CC4)F

Isomeric SMILES

C[NH2+][C@H]1CCCN(C1)C2=C(C=C3C(=C2OC)[C@@H](C=C(C3=O)C(=O)[O-])C4CC4)F

InChI

InChI=1S/C21H25FN2O4/c1-23-12-4-3-7-24(10-12)18-16(22)9-14-17(20(18)28-2)13(11-5-6-11)8-15(19(14)25)21(26)27/h8-9,11-13,23H,3-7,10H2,1-2H3,(H,26,27)/t12-,13-/m0/s1