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

Systemtic Name: (1-methylsulfonyl-2,3-dihydroindol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (1-methylsulfonylindolin-5-yl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (1-methylsulfonyl-2,3-dihydroindol-5-yl)-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1-methylsulfonyl-2,3-dihydroindol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (1-mesylindolin-5-yl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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=NC=C4

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C20H24N4O3S/c1-28(26,27)24-9-6-17-14-18(2-3-19(17)24)20(25)23-12-10-22(11-13-23)15-16-4-7-21-8-5-16/h2-5,7-8,14H,6,9-13,15H2,1H3/p+1