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

Systemtic Name: 1-ethylsulfonyl-6-piperazin-4-ium-1-yl-2,3-dihydroindole Openeye Name: 1-ethylsulfonyl-6-piperazin-4-ium-1-yl-indoline CAS Name: 1-ethylsulfonyl-6-(1-piperazin-4-iumyl)-2,3-dihydroindole IUPAC Name: 1-ethylsulfonyl-6-piperazin-4-ium-1-yl-2,3-dihydroindole Traditional Name: 1-esyl-6-piperazin-4-ium-1-yl-indoline Formula: C14H22N3O2S+ MolecularWeight: 296.40838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S/c1-2-20(18,19)17-8-5-12-3-4-13(11-14(12)17)16-9-6-15-7-10-16/h3-4,11,15H,2,5-10H2,1H3/p+1