N-[2-(2-butyl-3-heptyl-1H-imidazol-3-ium-4-yl)phenyl]ethanamide; 4-methylbenzenesulfonate

Systemtic Name: N-[2-(2-butyl-3-heptyl-1H-imidazol-3-ium-4-yl)phenyl]ethanamide; 4-methylbenzenesulfonate Openeye Name: N-[2-(2-butyl-3-heptyl-1H-imidazol-3-ium-4-yl)phenyl]acetamide; 4-methylbenzenesulfonate CAS Name: N-[2-(2-butyl-3-heptyl-1H-imidazol-3-ium-4-yl)phenyl]acetamide; 4-methylbenzenesulfonate IUPAC Name: N-[2-(2-butyl-3-heptyl-1H-imidazol-3-ium-4-yl)phenyl]acetamide; 4-methylbenzenesulfonate Traditional Name: N-[2-(2-butyl-3-heptyl-1H-imidazol-3-ium-4-yl)phenyl]acetamide tosylate Formula: C29H41N3O4S MolecularWeight: 527.71854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=C(NC=C1C2=CC=CC=C2NC(=O)C)CCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCC[N+]1=C(NC=C1C2=CC=CC=C2NC(=O)C)CCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C22H33N3O.C7H8O3S/c1-4-6-8-9-12-16-25-21(17-23-22(25)15-7-5-2)19-13-10-11-14-20(19)24-18(3)26;1-6-2-4-7(5-3-6)11(8,9)10/h10-11,13-14,17H,4-9,12,15-16H2,1-3H3,(H,24,26);2-5H,1H3,(H,8,9,10)