(2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-methyl-propanamide

Systemtic Name: (2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-methyl-propanamide Openeye Name: (2R)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-methyl-propanamide CAS Name: (2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N-methylpropanamide IUPAC Name: (2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-methylpropanamide Traditional Name: (2R)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-methyl-propionamide Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S/c1-13(17(21)18-2)19-8-10-20(11-9-19)24(22,23)16-7-6-14-4-3-5-15(14)12-16/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,18,21)/p+1/t13-/m1/s1