butanedioate; 1-[2-[(3,4-dimethylphenyl)methoxy]-2-(2-propan-2-ylphenyl)ethyl]-3-undecyl-imidazol-1-ium

Systemtic Name: butanedioate; 1-[2-[(3,4-dimethylphenyl)methoxy]-2-(2-propan-2-ylphenyl)ethyl]-3-undecyl-imidazol-1-ium Openeye Name: butanedioate; 1-[2-[(3,4-dimethylphenyl)methoxy]-2-(2-isopropylphenyl)ethyl]-3-undecyl-imidazol-1-ium CAS Name: butanedioate; 1-[2-[(3,4-dimethylphenyl)methoxy]-2-(2-propan-2-ylphenyl)ethyl]-3-undecylimidazol-1-ium IUPAC Name: butanedioate; 1-[2-[(3,4-dimethylphenyl)methoxy]-2-(2-propan-2-ylphenyl)ethyl]-3-undecylimidazol-1-ium Traditional Name: 1-[2-(3,4-dimethylbenzyl)oxy-2-o-cumenyl-ethyl]-3-undecyl-imidazol-1-ium; succinate Formula: C72H106N4O6 MolecularWeight: 1123.63524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCN1C=C[N+](=C1)CC(C2=CC=CC=C2C(C)C)OCC3=CC(=C(C=C3)C)C.CCCCCCCCCCCN1C=C[N+](=C1)CC(C2=CC=CC=C2C(C)C)OCC3=CC(=C(C=C3)C)C.C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCN1C=C[N+](=C1)CC(C2=CC=CC=C2C(C)C)OCC3=CC(=C(C=C3)C)C.CCCCCCCCCCCN1C=C[N+](=C1)CC(C2=CC=CC=C2C(C)C)OCC3=CC(=C(C=C3)C)C.C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C34H51N2O.C4H6O4/c2*1-6-7-8-9-10-11-12-13-16-21-35-22-23-36(27-35)25-34(33-18-15-14-17-32(33)28(2)3)37-26-31-20-19-29(4)30(5)24-31;5-3(6)1-2-4(7)8/h2*14-15,17-20,22-24,27-28,34H,6-13,16,21,25-26H2,1-5H3;1-2H2,(H,5,6)(H,7,8)/q2*+1;/p-2