7-[(3S,4R)-3-azanyl-4-ethyl-piperidin-1-yl]-8-chloranyl-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3S,4R)-3-azanyl-4-ethyl-piperidin-1-yl]-8-chloranyl-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S,4R)-3-amino-4-ethyl-1-piperidyl]-8-chloro-1-cyclopropyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3S,4R)-3-amino-4-ethyl-1-piperidinyl]-8-chloro-1-cyclopropyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S,4R)-3-amino-4-ethylpiperidin-1-yl]-8-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S,4R)-3-amino-4-ethyl-piperidino]-8-chloro-1-cyclopropyl-4-keto-quinoline-3-carboxylic acid Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(CC1N)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)Cl

Isomeric SMILES

CC[C@@H]1CCN(C[C@H]1N)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)Cl

InChI

InChI=1S/C20H24ClN3O3/c1-2-11-7-8-23(10-15(11)22)16-6-5-13-18(17(16)21)24(12-3-4-12)9-14(19(13)25)20(26)27/h5-6,9,11-12,15H,2-4,7-8,10,22H2,1H3,(H,26,27)/t11-,15-/m1/s1