[2-[[3-[[2-(diethylazaniumyl)ethanoylamino]methyl]-4-octoxy-phenyl]amino]-2-oxidanylidene-ethyl]-diethyl-azanium dichloride

Systemtic Name: [2-[[3-[[2-(diethylazaniumyl)ethanoylamino]methyl]-4-octoxy-phenyl]amino]-2-oxidanylidene-ethyl]-diethyl-azanium dichloride Openeye Name: [2-[3-[[[2-(diethylammonio)acetyl]amino]methyl]-4-octoxy-anilino]-2-oxo-ethyl]-diethyl-ammonium dichloride CAS Name: [2-[3-[[[2-(diethylammonio)-1-oxoethyl]amino]methyl]-4-octoxyanilino]-2-oxoethyl]-diethylammonium dichloride IUPAC Name: [2-[3-[[[2-(diethylazaniumyl)acetyl]amino]methyl]-4-octoxyanilino]-2-oxoethyl]-diethylazanium dichloride Traditional Name: [2-[3-[[[2-(diethylammonio)acetyl]amino]methyl]-4-octoxy-anilino]-2-keto-ethyl]-diethyl-ammonium dichloride Formula: C27H50Cl2N4O3 MolecularWeight: 549.6169

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)NC(=O)C[NH+](CC)CC)CNC(=O)C[NH+](CC)CC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)NC(=O)C[NH+](CC)CC)CNC(=O)C[NH+](CC)CC.[Cl-].[Cl-]

InChI

InChI=1S/C27H48N4O3.2ClH/c1-6-11-12-13-14-15-18-34-25-17-16-24(29-27(33)22-31(9-4)10-5)19-23(25)20-28-26(32)21-30(7-2)8-3;;/h16-17,19H,6-15,18,20-22H2,1-5H3,(H,28,32)(H,29,33);2*1H