3-[6-oxidanylidene-8-[[3-oxidanyl-3-oxidanylidene-2-(phenylsulfonylamino)propyl]carbamoyl]quinolizin-2-yl]oxypropylazanium

Systemtic Name: 3-[6-oxidanylidene-8-[[3-oxidanyl-3-oxidanylidene-2-(phenylsulfonylamino)propyl]carbamoyl]quinolizin-2-yl]oxypropylazanium Openeye Name: 3-[8-[[2-(benzenesulfonamido)-3-hydroxy-3-oxo-propyl]carbamoyl]-6-oxo-quinolizin-2-yl]oxypropylammonium CAS Name: 3-[[8-[[[2-(benzenesulfonamido)-3-hydroxy-3-oxopropyl]amino]-oxomethyl]-6-oxo-2-quinolizinyl]oxy]propylammonium IUPAC Name: 3-[8-[[2-(benzenesulfonamido)-3-hydroxy-3-oxopropyl]carbamoyl]-6-oxoquinolizin-2-yl]oxypropylazanium Traditional Name: 3-[8-[[2-(benzenesulfonamido)-3-hydroxy-3-keto-propyl]carbamoyl]-6-keto-quinolizin-2-yl]oxypropylammonium Formula: C22H25N4O7S+ MolecularWeight: 489.5215

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC(=O)N3C=CC(=CC3=C2)OCCC[NH3+])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC(=O)N3C=CC(=CC3=C2)OCCC[NH3+])C(=O)O

InChI

InChI=1S/C22H24N4O7S/c23-8-4-10-33-17-7-9-26-16(13-17)11-15(12-20(26)27)21(28)24-14-19(22(29)30)25-34(31,32)18-5-2-1-3-6-18/h1-3,5-7,9,11-13,19,25H,4,8,10,14,23H2,(H,24,28)(H,29,30)/p+1