butanedioate; 2-[3-(2-butan-2-yloxy-2-thiophen-2-yl-ethyl)imidazol-1-ium-1-yl]-1-(2,4-dichlorophenyl)ethanol

Systemtic Name: butanedioate; 2-[3-(2-butan-2-yloxy-2-thiophen-2-yl-ethyl)imidazol-1-ium-1-yl]-1-(2,4-dichlorophenyl)ethanol Openeye Name: butanedioate; 1-(2,4-dichlorophenyl)-2-[3-[2-sec-butoxy-2-(2-thienyl)ethyl]imidazol-1-ium-1-yl]ethanol CAS Name: butanedioate; 2-[3-(2-butan-2-yloxy-2-thiophen-2-ylethyl)-1-imidazol-1-iumyl]-1-(2,4-dichlorophenyl)ethanol IUPAC Name: butanedioate; 2-[3-(2-butan-2-yloxy-2-thiophen-2-ylethyl)imidazol-1-ium-1-yl]-1-(2,4-dichlorophenyl)ethanol Traditional Name: 1-(2,4-dichlorophenyl)-2-[3-[2-sec-butoxy-2-(2-thienyl)ethyl]imidazol-1-ium-1-yl]ethanol; succinate Formula: C46H54Cl4N4O8S2 MolecularWeight: 996.88496

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(CN1C=C[N+](=C1)CC(C2=C(C=C(C=C2)Cl)Cl)O)C3=CC=CS3.CCC(C)OC(CN1C=C[N+](=C1)CC(C2=C(C=C(C=C2)Cl)Cl)O)C3=CC=CS3.C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC(C)OC(CN1C=C[N+](=C1)CC(C2=C(C=C(C=C2)Cl)Cl)O)C3=CC=CS3.CCC(C)OC(CN1C=C[N+](=C1)CC(C2=C(C=C(C=C2)Cl)Cl)O)C3=CC=CS3.C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C21H25Cl2N2O2S.C4H6O4/c2*1-3-15(2)27-20(21-5-4-10-28-21)13-25-9-8-24(14-25)12-19(26)17-7-6-16(22)11-18(17)23;5-3(6)1-2-4(7)8/h2*4-11,14-15,19-20,26H,3,12-13H2,1-2H3;1-2H2,(H,5,6)(H,7,8)/q2*+1;/p-2