1-cyclopropyl-7-(3-methyl-3,9-diaza-6-azoniaspiro[5.5]undecan-9-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(3-methyl-3,9-diaza-6-azoniaspiro[5.5]undecan-9-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(3-methyl-3,9-diaza-6-azoniaspiro[5.5]undecan-9-yl)-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(3-methyl-3,9-diaza-6-azoniaspiro[5.5]undecan-9-yl)-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(3-methyl-3,9-diaza-6-azoniaspiro[5.5]undecan-9-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-7-(3-methyl-3,9-diaza-6-azoniaspiro[5.5]undecan-9-yl)-6-nitro-quinoline-3-carboxylic acid Formula: C22H28N5O5+ MolecularWeight: 442.48822

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+]2(CC1)CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)[N+](=O)[O-]

Isomeric SMILES

CN1CC[N+]2(CC1)CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O5/c1-23-4-8-27(9-5-23)10-6-24(7-11-27)19-13-18-16(12-20(19)26(31)32)21(28)17(22(29)30)14-25(18)15-2-3-15/h12-15H,2-11H2,1H3/p+1