2-[4-[[4-[[4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]amino]-4-oxidanylidene-butanoyl]amino]phenyl]carbonyloxyethyl-diethyl-azanium dichloride

Systemtic Name: 2-[4-[[4-[[4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]amino]-4-oxidanylidene-butanoyl]amino]phenyl]carbonyloxyethyl-diethyl-azanium dichloride Openeye Name: 2-[4-[[4-[4-[2-(diethylammonio)ethoxycarbonyl]anilino]-4-oxo-butanoyl]amino]benzoyl]oxyethyl-diethyl-ammonium dichloride CAS Name: 2-[[4-[[4-[4-[2-(diethylammonio)ethoxy-oxomethyl]anilino]-1,4-dioxobutyl]amino]phenyl]-oxomethoxy]ethyl-diethylammonium dichloride IUPAC Name: 2-[4-[[4-[4-[2-(diethylazaniumyl)ethoxycarbonyl]anilino]-4-oxobutanoyl]amino]benzoyl]oxyethyl-diethylazanium dichloride Traditional Name: 2-[4-[[4-[4-[2-(diethylammonio)ethoxycarbonyl]anilino]-4-keto-butanoyl]amino]benzoyl]oxyethyl-diethyl-ammonium dichloride Formula: C30H44Cl2N4O6 MolecularWeight: 627.59956

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)OCC[NH+](CC)CC.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)OCC[NH+](CC)CC.[Cl-].[Cl-]

InChI

InChI=1S/C30H42N4O6.2ClH/c1-5-33(6-2)19-21-39-29(37)23-9-13-25(14-10-23)31-27(35)17-18-28(36)32-26-15-11-24(12-16-26)30(38)40-22-20-34(7-3)8-4;;/h9-16H,5-8,17-22H2,1-4H3,(H,31,35)(H,32,36);2*1H