butyl-[3-[[3-(9-oxidanylidenexanthen-3-yl)oxypropyl-propyl-amino]methyl]phenoxy]carbonyl-azanium chloride

Systemtic Name: butyl-[3-[[3-(9-oxidanylidenexanthen-3-yl)oxypropyl-propyl-amino]methyl]phenoxy]carbonyl-azanium chloride Openeye Name: butyl-[3-[[3-(9-oxoxanthen-3-yl)oxypropyl-propyl-amino]methyl]phenoxy]carbonyl-ammonium chloride CAS Name: butyl-[oxo-[3-[[3-[(9-oxo-3-xanthenyl)oxy]propyl-propylamino]methyl]phenoxy]methyl]ammonium chloride IUPAC Name: butyl-[3-[[3-(9-oxoxanthen-3-yl)oxypropyl-propylamino]methyl]phenoxy]carbonylazanium chloride Traditional Name: butyl-[3-[[3-(9-ketoxanthen-3-yl)oxypropyl-propyl-amino]methyl]phenoxy]carbonyl-ammonium chloride Formula: C31H37ClN2O5 MolecularWeight: 553.08888

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C(=O)OC1=CC=CC(=C1)CN(CCC)CCCOC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3.[Cl-]

Isomeric SMILES

CCCC[NH2+]C(=O)OC1=CC=CC(=C1)CN(CCC)CCCOC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3.[Cl-]

InChI

InChI=1S/C31H36N2O5.ClH/c1-3-5-16-32-31(35)37-25-11-8-10-23(20-25)22-33(17-4-2)18-9-19-36-24-14-15-27-29(21-24)38-28-13-7-6-12-26(28)30(27)34;/h6-8,10-15,20-21H,3-5,9,16-19,22H2,1-2H3,(H,32,35);1H