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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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