3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-methoxy-2-methyl-1H-indole; 4-methylbenzenesulfonic acid

Systemtic Name: 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-methoxy-2-methyl-1H-indole; 4-methylbenzenesulfonic acid Openeye Name: 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-methoxy-2-methyl-1H-indole; 4-methylbenzenesulfonic acid CAS Name: 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-methoxy-2-methyl-1H-indole; 4-methylbenzenesulfonic acid IUPAC Name: 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-methoxy-2-methyl-1H-indole; 4-methylbenzenesulfonic acid Traditional Name: 3-[2-(2-imidazolin-2-yl)ethyl]-5-methoxy-2-methyl-1H-indole; tosylic acid Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C(C2=C(N1)C=CC(=C2)OC)CCC3=NCCN3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C(C2=C(N1)C=CC(=C2)OC)CCC3=NCCN3

InChI

InChI=1S/C15H19N3O.C7H8O3S/c1-10-12(4-6-15-16-7-8-17-15)13-9-11(19-2)3-5-14(13)18-10;1-6-2-4-7(5-3-6)11(8,9)10/h3,5,9,18H,4,6-8H2,1-2H3,(H,16,17);2-5H,1H3,(H,8,9,10)