1-methylsulfonyl-6-piperazin-4-ium-1-yl-2,3-dihydroindole

Systemtic Name: 1-methylsulfonyl-6-piperazin-4-ium-1-yl-2,3-dihydroindole Openeye Name: 1-methylsulfonyl-6-piperazin-4-ium-1-yl-indoline CAS Name: 1-methylsulfonyl-6-(1-piperazin-4-iumyl)-2,3-dihydroindole IUPAC Name: 1-methylsulfonyl-6-piperazin-4-ium-1-yl-2,3-dihydroindole Traditional Name: 1-mesyl-6-piperazin-4-ium-1-yl-indoline Formula: C13H20N3O2S+ MolecularWeight: 282.3818

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=C(C=C2)N3CC[NH2+]CC3

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=C(C=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C13H19N3O2S/c1-19(17,18)16-7-4-11-2-3-12(10-13(11)16)15-8-5-14-6-9-15/h2-3,10,14H,4-9H2,1H3/p+1