3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indole; 4-methylbenzenesulfonic acid

Systemtic Name: 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indole; 4-methylbenzenesulfonic acid Openeye Name: 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indole; 4-methylbenzenesulfonic acid CAS Name: 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indole; 4-methylbenzenesulfonic acid IUPAC Name: 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indole; 4-methylbenzenesulfonic acid Traditional Name: 3-(2-imidazolin-2-ylmethyl)-1H-indole; tosylic acid Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN=C(N1)CC2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN=C(N1)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C12H13N3.C7H8O3S/c1-2-4-11-10(3-1)9(8-15-11)7-12-13-5-6-14-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,8,15H,5-7H2,(H,13,14);2-5H,1H3,(H,8,9,10)