heptyl-[3-[[3-(9-oxidanylidenexanthen-3-yl)oxypropyl-propan-2-yl-amino]methyl]phenoxy]carbonyl-azanium chloride

Systemtic Name: heptyl-[3-[[3-(9-oxidanylidenexanthen-3-yl)oxypropyl-propan-2-yl-amino]methyl]phenoxy]carbonyl-azanium chloride Openeye Name: heptyl-[3-[[isopropyl-[3-(9-oxoxanthen-3-yl)oxypropyl]amino]methyl]phenoxy]carbonyl-ammonium chloride CAS Name: heptyl-[oxo-[3-[[3-[(9-oxo-3-xanthenyl)oxy]propyl-propan-2-ylamino]methyl]phenoxy]methyl]ammonium chloride IUPAC Name: heptyl-[3-[[3-(9-oxoxanthen-3-yl)oxypropyl-propan-2-ylamino]methyl]phenoxy]carbonylazanium chloride Traditional Name: heptyl-[3-[[isopropyl-[3-(9-ketoxanthen-3-yl)oxypropyl]amino]methyl]phenoxy]carbonyl-ammonium chloride Formula: C34H43ClN2O5 MolecularWeight: 595.16862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H42N2O5.ClH/c1-4-5-6-7-10-19-35-34(38)40-28-14-11-13-26(22-28)24-36(25(2)3)20-12-21-39-27-17-18-30-32(23-27)41-31-16-9-8-15-29(31)33(30)37;/h8-9,11,13-18,22-23,25H,4-7,10,12,19-21,24H2,1-3H3,(H,35,38);1H