2-[4-azanyl-3-[2-azanyl-5-(2-diethylaminoethyloxycarbonyl)phenyl]phenyl]carbonyloxyethyl-diethyl-azanium chloride

Systemtic Name: 2-[4-azanyl-3-[2-azanyl-5-(2-diethylaminoethyloxycarbonyl)phenyl]phenyl]carbonyloxyethyl-diethyl-azanium chloride Openeye Name: 2-[4-amino-3-[2-amino-5-(2-diethylaminoethyloxycarbonyl)phenyl]benzoyl]oxyethyl-diethyl-ammonium chloride CAS Name: 2-[[4-amino-3-[2-amino-5-[2-diethylaminoethyloxy(oxo)methyl]phenyl]phenyl]-oxomethoxy]ethyl-diethylammonium chloride IUPAC Name: 2-[4-amino-3-[2-amino-5-(2-diethylaminoethyloxycarbonyl)phenyl]benzoyl]oxyethyl-diethylazanium chloride Traditional Name: 2-[4-amino-3-[2-amino-5-(2-diethylaminoethyloxycarbonyl)phenyl]benzoyl]oxyethyl-diethyl-ammonium chloride Formula: C26H39ClN4O4 MolecularWeight: 507.06526

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC(=C(C=C1)N)C2=C(C=CC(=C2)C(=O)OCCN(CC)CC)N.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC(=C(C=C1)N)C2=C(C=CC(=C2)C(=O)OCCN(CC)CC)N.[Cl-]

InChI

InChI=1S/C26H38N4O4.ClH/c1-5-29(6-2)13-15-33-25(31)19-9-11-23(27)21(17-19)22-18-20(10-12-24(22)28)26(32)34-16-14-30(7-3)8-4;/h9-12,17-18H,5-8,13-16,27-28H2,1-4H3;1H