3-azaniumylpropyl-[4-[3-[4-[4-(1-hydroxyethyl)-2-methoxy-5-nitro-phenoxy]butanoylamino]propylazaniumyl]butyl]azanium trichloride

Systemtic Name: 3-azaniumylpropyl-[4-[3-[4-[4-(1-hydroxyethyl)-2-methoxy-5-nitro-phenoxy]butanoylamino]propylazaniumyl]butyl]azanium trichloride Openeye Name: 3-azaniumylpropyl-[4-[3-[4-[4-(1-hydroxyethyl)-2-methoxy-5-nitro-phenoxy]butanoylamino]propylammonio]butyl]ammonium trichloride CAS Name: 3-ammoniopropyl-[4-[3-[[4-[4-(1-hydroxyethyl)-2-methoxy-5-nitrophenoxy]-1-oxobutyl]amino]propylammonio]butyl]ammonium trichloride IUPAC Name: 3-azaniumylpropyl-[4-[3-[4-[4-(1-hydroxyethyl)-2-methoxy-5-nitrophenoxy]butanoylamino]propylazaniumyl]butyl]azanium trichloride Traditional Name: 3-ammoniopropyl-[4-[3-[4-[4-(1-hydroxyethyl)-2-methoxy-5-nitro-phenoxy]butanoylamino]propylammonio]butyl]ammonium trichloride Formula: C23H44Cl3N5O6 MolecularWeight: 592.98436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+])OC)O.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+])OC)O.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C23H41N5O6.3ClH/c1-18(29)19-16-21(33-2)22(17-20(19)28(31)32)34-15-5-8-23(30)27-14-7-13-26-11-4-3-10-25-12-6-9-24;;;/h16-18,25-26,29H,3-15,24H2,1-2H3,(H,27,30);3*1H