3-ethyl-2,6-dimethyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonic acid

Systemtic Name: 3-ethyl-2,6-dimethyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonic acid Openeye Name: 3-ethyl-2,6-dimethyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonic acid CAS Name: 3-ethyl-2,6-dimethyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonic acid IUPAC Name: 3-ethyl-2,6-dimethyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonic acid Traditional Name: 3-ethyl-2,6-dimethyl-1,3-benzothiazol-3-ium; tosylic acid Formula: C18H22NO3S2+ MolecularWeight: 364.50218

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=CC(=C2)C)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC[N+]1=C(SC2=C1C=CC(=C2)C)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H14NS.C7H8O3S/c1-4-12-9(3)13-11-7-8(2)5-6-10(11)12;1-6-2-4-7(5-3-6)11(8,9)10/h5-7H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;