2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[4-(1H-indol-3-yl)-1-piperidin-1-iumyl]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]-1-(4-mesylpiperazino)ethanone Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C[NH+]2CCC(CC2)C3=CNC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C[NH+]2CCC(CC2)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H28N4O3S/c1-28(26,27)24-12-10-23(11-13-24)20(25)15-22-8-6-16(7-9-22)18-14-21-19-5-3-2-4-17(18)19/h2-5,14,16,21H,6-13,15H2,1H3/p+1