dimethyl-[[4-[[[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[4-[[[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[[[(2S)-2-methyl-1-methylsulfonyl-indoline-5-carbonyl]amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[[[[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[[[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]methyl]phenyl]methyl]azanium Traditional Name: [4-[[[(2S)-1-mesyl-2-methyl-indoline-5-carbonyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCC3=CC=C(C=C3)C[NH+](C)C

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCC3=CC=C(C=C3)C[NH+](C)C

InChI

InChI=1S/C21H27N3O3S/c1-15-11-19-12-18(9-10-20(19)24(15)28(4,26)27)21(25)22-13-16-5-7-17(8-6-16)14-23(2)3/h5-10,12,15H,11,13-14H2,1-4H3,(H,22,25)/p+1/t15-/m0/s1