(1-methylsulfonyl-2,3-dihydroindol-5-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (1-methylsulfonyl-2,3-dihydroindol-5-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (1-methylsulfonylindolin-5-yl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (1-methylsulfonyl-2,3-dihydroindol-5-yl)-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1-methylsulfonyl-2,3-dihydroindol-5-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (1-mesylindolin-5-yl)-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C19H24N3O3S2+ MolecularWeight: 406.54216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C19H23N3O3S2/c1-27(24,25)22-7-6-15-13-16(4-5-18(15)22)19(23)21-10-8-20(9-11-21)14-17-3-2-12-26-17/h2-5,12-13H,6-11,14H2,1H3/p+1