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

Systemtic Name: (2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S/c1-12(16(17)20)18-7-9-19(10-8-18)23(21,22)15-6-5-13-3-2-4-14(13)11-15/h5-6,11-12H,2-4,7-10H2,1H3,(H2,17,20)/p+1/t12-/m1/s1