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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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