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

Systemtic Name: 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-methoxy-1H-indole; 4-methylbenzenesulfonic acid Openeye Name: 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-methoxy-1H-indole; 4-methylbenzenesulfonic acid CAS Name: 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-methoxy-1H-indole; 4-methylbenzenesulfonic acid IUPAC Name: 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-methoxy-1H-indole; 4-methylbenzenesulfonic acid Traditional Name: 3-[2-(2-imidazolin-2-yl)ethyl]-5-methoxy-1H-indole; tosylic acid Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC2=C(C=C1)NC=C2CCC3=NCCN3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC2=C(C=C1)NC=C2CCC3=NCCN3

InChI

InChI=1S/C14H17N3O.C7H8O3S/c1-18-11-3-4-13-12(8-11)10(9-17-13)2-5-14-15-6-7-16-14;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,8-9,17H,2,5-7H2,1H3,(H,15,16);2-5H,1H3,(H,8,9,10)