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

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[(2S)-2-methylmorpholin-4-ium-4-yl]ethanone Openeye Name: 1-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-[(2S)-2-methylmorpholin-4-ium-4-yl]ethanone CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-[(2S)-2-methyl-4-morpholin-4-iumyl]ethanone IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[(2S)-2-methylmorpholin-4-ium-4-yl]ethanone Traditional Name: 1-(4-indan-5-ylsulfonylpiperazino)-2-[(2S)-2-methylmorpholin-4-ium-4-yl]ethanone Formula: C20H30N3O4S+ MolecularWeight: 408.5349

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCO1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

C[C@H]1C[NH+](CCO1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C20H29N3O4S/c1-16-14-21(11-12-27-16)15-20(24)22-7-9-23(10-8-22)28(25,26)19-6-5-17-3-2-4-18(17)13-19/h5-6,13,16H,2-4,7-12,14-15H2,1H3/p+1/t16-/m0/s1