1-ethyl-2,3,3-trimethyl-indol-1-ium; 4-methylbenzenesulfonic acid

Systemtic Name: 1-ethyl-2,3,3-trimethyl-indol-1-ium; 4-methylbenzenesulfonic acid Openeye Name: 1-ethyl-2,3,3-trimethyl-indol-1-ium; 4-methylbenzenesulfonic acid CAS Name: 1-ethyl-2,3,3-trimethylindol-1-ium; 4-methylbenzenesulfonic acid IUPAC Name: 1-ethyl-2,3,3-trimethylindol-1-ium; 4-methylbenzenesulfonic acid Traditional Name: 1-ethyl-2,3,3-trimethyl-indol-1-ium; tosylic acid Formula: C20H26NO3S+ MolecularWeight: 360.49034

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(C2=CC=CC=C21)(C)C)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC[N+]1=C(C(C2=CC=CC=C21)(C)C)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C13H18N.C7H8O3S/c1-5-14-10(2)13(3,4)11-8-6-7-9-12(11)14;1-6-2-4-7(5-3-6)11(8,9)10/h6-9H,5H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;