4-tert-butylbenzenesulfonate; 1,4-dimethylquinolin-1-ium

Systemtic Name: 4-tert-butylbenzenesulfonate; 1,4-dimethylquinolin-1-ium Openeye Name: 4-tert-butylbenzenesulfonate; 1,4-dimethylquinolin-1-ium CAS Name: 4-tert-butylbenzenesulfonate; 1,4-dimethylquinolin-1-ium IUPAC Name: 4-tert-butylbenzenesulfonate; 1,4-dimethylquinolin-1-ium Traditional Name: 4-tert-butylbesylate; 1,4-dimethylquinolin-1-ium Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C2=CC=CC=C12)C.CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=[N+](C2=CC=CC=C12)C.CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C11H12N.C10H14O3S/c1-9-7-8-12(2)11-6-4-3-5-10(9)11;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h3-8H,1-2H3;4-7H,1-3H3,(H,11,12,13)/q+1;/p-1