7-[(3S)-3-azanylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3S)-3-azanylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S)-3-amino-1-piperidyl]-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3S)-3-amino-1-piperidinyl]-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S)-3-aminopiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S)-3-aminopiperidino]-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)N4CCCC(C4)N

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)N4CCC[C@@H](C4)N

InChI

InChI=1S/C19H23N3O4/c1-26-18-15(21-8-2-3-11(20)9-21)7-6-13-16(18)22(12-4-5-12)10-14(17(13)23)19(24)25/h6-7,10-12H,2-5,8-9,20H2,1H3,(H,24,25)/t11-/m0/s1