5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydro-1H-indole

Systemtic Name: 5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydro-1H-indole Openeye Name: 5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylindoline CAS Name: 5-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]-2,3-dihydro-1H-indole IUPAC Name: 5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydro-1H-indole Traditional Name: 5-(4-pyridin-1-ium-2-ylpiperazino)sulfonylindoline Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CNC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C17H20N4O2S/c22-24(23,15-4-5-16-14(13-15)6-8-18-16)21-11-9-20(10-12-21)17-3-1-2-7-19-17/h1-5,7,13,18H,6,8-12H2/p+1