2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-1-(1-piperidyl)ethanone CAS Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-1-piperidino-ethanone Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C20H29N3O3S/c24-20(22-9-2-1-3-10-22)16-21-11-13-23(14-12-21)27(25,26)19-8-7-17-5-4-6-18(17)15-19/h7-8,15H,1-6,9-14,16H2/p+1