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

Systemtic Name: methyl-[3-[[3-(9-oxidanylidenexanthen-3-yl)oxypropyl-propyl-amino]methyl]phenoxy]carbonyl-azanium chloride Openeye Name: methyl-[3-[[3-(9-oxoxanthen-3-yl)oxypropyl-propyl-amino]methyl]phenoxy]carbonyl-ammonium chloride CAS Name: methyl-[oxo-[3-[[3-[(9-oxo-3-xanthenyl)oxy]propyl-propylamino]methyl]phenoxy]methyl]ammonium chloride IUPAC Name: methyl-[3-[[3-(9-oxoxanthen-3-yl)oxypropyl-propylamino]methyl]phenoxy]carbonylazanium chloride Traditional Name: [3-[[3-(9-ketoxanthen-3-yl)oxypropyl-propyl-amino]methyl]phenoxy]carbonyl-methyl-ammonium chloride Formula: C28H31ClN2O5 MolecularWeight: 511.00914

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCOC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)CC4=CC(=CC=C4)OC(=O)[NH2+]C.[Cl-]

Isomeric SMILES

CCCN(CCCOC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)CC4=CC(=CC=C4)OC(=O)[NH2+]C.[Cl-]

InChI

InChI=1S/C28H30N2O5.ClH/c1-3-14-30(19-20-8-6-9-22(17-20)34-28(32)29-2)15-7-16-33-21-12-13-24-26(18-21)35-25-11-5-4-10-23(25)27(24)31;/h4-6,8-13,17-18H,3,7,14-16,19H2,1-2H3,(H,29,32);1H