7-[1-azanyl-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]-8-chloranyl-1-cyclopropyl-6-oxidanyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[1-azanyl-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]-8-chloranyl-1-cyclopropyl-6-oxidanyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[1-amino-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]-8-chloro-1-cyclopropyl-6-hydroxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[1-amino-1-(cyclopropylmethyl)-2-pyrrolidin-1-iumyl]-8-chloro-1-cyclopropyl-6-hydroxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[1-amino-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]-8-chloro-1-cyclopropyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[1-amino-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]-8-chloro-1-cyclopropyl-6-hydroxy-4-keto-quinoline-3-carboxylic acid Formula: C21H25ClN3O4+ MolecularWeight: 418.8939

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(CC2CC2)N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5)O

Isomeric SMILES

C1CC([N+](C1)(CC2CC2)N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5)O

InChI

InChI=1S/C21H24ClN3O4/c22-18-17(15-2-1-7-25(15,23)10-11-3-4-11)16(26)8-13-19(18)24(12-5-6-12)9-14(20(13)27)21(28)29/h8-9,11-12,15H,1-7,10,23H2,(H-,26,28,29)/p+1