1-[3-(dimethylaminomethyl)-4-ethyl-2,3-dihydroquinoxalin-1-yl]-3-(4-phenylphenyl)propan-1-one; 4-methylbenzenesulfonic acid

Systemtic Name: 1-[3-(dimethylaminomethyl)-4-ethyl-2,3-dihydroquinoxalin-1-yl]-3-(4-phenylphenyl)propan-1-one; 4-methylbenzenesulfonic acid Openeye Name: 1-[3-(dimethylaminomethyl)-4-ethyl-2,3-dihydroquinoxalin-1-yl]-3-(4-phenylphenyl)propan-1-one; 4-methylbenzenesulfonic acid CAS Name: 1-[3-(dimethylaminomethyl)-4-ethyl-2,3-dihydroquinoxalin-1-yl]-3-(4-phenylphenyl)-1-propanone; 4-methylbenzenesulfonic acid IUPAC Name: 1-[3-(dimethylaminomethyl)-4-ethyl-2,3-dihydroquinoxalin-1-yl]-3-(4-phenylphenyl)propan-1-one; 4-methylbenzenesulfonic acid Traditional Name: 1-[3-(dimethylaminomethyl)-4-ethyl-2,3-dihydroquinoxalin-1-yl]-3-(4-phenylphenyl)propan-1-one; tosylic acid Formula: C35H41N3O4S MolecularWeight: 599.78274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(CN(C2=CC=CC=C21)C(=O)CCC3=CC=C(C=C3)C4=CC=CC=C4)CN(C)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCN1C(CN(C2=CC=CC=C21)C(=O)CCC3=CC=C(C=C3)C4=CC=CC=C4)CN(C)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C28H33N3O.C7H8O3S/c1-4-30-25(20-29(2)3)21-31(27-13-9-8-12-26(27)30)28(32)19-16-22-14-17-24(18-15-22)23-10-6-5-7-11-23;1-6-2-4-7(5-3-6)11(8,9)10/h5-15,17-18,25H,4,16,19-21H2,1-3H3;2-5H,1H3,(H,8,9,10)