1-[(2S)-2-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone

Systemtic Name: 1-[(2S)-2-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone Openeye Name: 1-[(2S)-2-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-indolin-1-yl]ethanone CAS Name: 1-[(2S)-2-methyl-5-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]-2,3-dihydroindol-1-yl]ethanone IUPAC Name: 1-[(2S)-2-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone Traditional Name: 1-[(2S)-2-methyl-5-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-indolin-1-yl]ethanone Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[C@H]1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H24N4O3S/c1-15-13-17-14-18(6-7-19(17)24(15)16(2)25)28(26,27)23-11-9-22(10-12-23)20-5-3-4-8-21-20/h3-8,14-15H,9-13H2,1-2H3/p+1/t15-/m0/s1