3-[3-[[3-(4-azanylphenoxy)-2-oxidanyl-propyl]-methanoyl-amino]propyl-methanoyl-amino]propyl-methyl-azanium chloride

Systemtic Name: 3-[3-[[3-(4-azanylphenoxy)-2-oxidanyl-propyl]-methanoyl-amino]propyl-methanoyl-amino]propyl-methyl-azanium chloride Openeye Name: 3-[3-[[3-(4-aminophenoxy)-2-hydroxy-propyl]-formyl-amino]propyl-formyl-amino]propyl-methyl-ammonium chloride CAS Name: 3-[3-[[3-(4-aminophenoxy)-2-hydroxypropyl]-formylamino]propyl-formylamino]propyl-methylammonium chloride IUPAC Name: 3-[3-[[3-(4-aminophenoxy)-2-hydroxypropyl]-formylamino]propyl-formylamino]propyl-methylazanium chloride Traditional Name: 3-[3-[[3-(4-aminophenoxy)-2-hydroxy-propyl]-formyl-amino]propyl-formyl-amino]propyl-methyl-ammonium chloride Formula: C18H31ClN4O4 MolecularWeight: 402.91614

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCCN(CCCN(CC(COC1=CC=C(C=C1)N)O)C=O)C=O.[Cl-]

Isomeric SMILES

C[NH2+]CCCN(CCCN(CC(COC1=CC=C(C=C1)N)O)C=O)C=O.[Cl-]

InChI

InChI=1S/C18H30N4O4.ClH/c1-20-8-2-9-21(14-23)10-3-11-22(15-24)12-17(25)13-26-18-6-4-16(19)5-7-18;/h4-7,14-15,17,20,25H,2-3,8-13,19H2,1H3;1H