1-methylsulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide Openeye Name: 1-methylsulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]indoline-5-carboxamide CAS Name: 1-methylsulfonyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide IUPAC Name: 1-methylsulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide Traditional Name: 1-mesyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]indoline-5-carboxamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C22H27N3O3S/c1-29(27,28)25-13-10-19-14-20(8-9-21(19)25)22(26)23-15-17-4-6-18(7-5-17)16-24-11-2-3-12-24/h4-9,14H,2-3,10-13,15-16H2,1H3,(H,23,26)/p+1