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

Systemtic Name: methyl N-[(2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]carbamate CAS Name: N-[(2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]propanoyl]carbamate Traditional Name: N-[(2R)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]carbamic acid methyl ester Formula: C18H26N3O5S+ MolecularWeight: 396.48114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5S/c1-13(17(22)19-18(23)26-2)20-8-10-21(11-9-20)27(24,25)16-7-6-14-4-3-5-15(14)12-16/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,19,22,23)/p+1/t13-/m1/s1