N-[4-[4-(3-heptylimidazol-3-ium-1-yl)butyl]phenyl]ethanamide; 4-methylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=CN(C=C1)CCCCC2=CC=C(C=C2)NC(=O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCC[N+]1=CN(C=C1)CCCCC2=CC=C(C=C2)NC(=O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C22H33N3O.C7H8O3S/c1-3-4-5-6-8-15-24-17-18-25(19-24)16-9-7-10-21-11-13-22(14-12-21)23-20(2)26;1-6-2-4-7(5-3-6)11(8,9)10/h11-14,17-19H,3-10,15-16H2,1-2H3;2-5H,1H3,(H,8,9,10)