2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-[(1S)-1-methylbutyl]acetamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CCC[C@H](C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C20H31N3O3S/c1-3-5-16(2)21-20(24)15-22-10-12-23(13-11-22)27(25,26)19-9-8-17-6-4-7-18(17)14-19/h8-9,14,16H,3-7,10-13,15H2,1-2H3,(H,21,24)/p+1/t16-/m0/s1