3-ethyl-5-methoxy-2-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonic acid

Systemtic Name: 3-ethyl-5-methoxy-2-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonic acid Openeye Name: 3-ethyl-5-methoxy-2-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonic acid CAS Name: 3-ethyl-5-methoxy-2-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonic acid IUPAC Name: 3-ethyl-5-methoxy-2-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonic acid Traditional Name: 3-ethyl-5-methoxy-2-methyl-1,3-benzothiazol-3-ium; tosylic acid Formula: C18H22NO4S2+ MolecularWeight: 380.50158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14NOS.C7H8O3S/c1-4-12-8(2)14-11-6-5-9(13-3)7-10(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;