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

Systemtic Name: 7-[1-azanyl-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[1-amino-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[1-amino-1-(cyclopropylmethyl)-2-pyrrolidin-1-iumyl]-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[1-amino-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[1-amino-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4CCC[N+]4(CC5CC5)N

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4CCC[N+]4(CC5CC5)N

InChI

InChI=1S/C22H27N3O4/c1-29-21-15(18-3-2-10-25(18,23)12-13-4-5-13)8-9-16-19(21)24(14-6-7-14)11-17(20(16)26)22(27)28/h8-9,11,13-14,18H,2-7,10,12,23H2,1H3/p+1