ethyl 1-[(2S)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanoyl]isonipecotic acid ethyl ester Formula: C19H30N3O5S2+ MolecularWeight: 444.5886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H29N3O5S2/c1-3-27-19(24)16-6-8-21(9-7-16)18(23)15(2)20-10-12-22(13-11-20)29(25,26)17-5-4-14-28-17/h4-5,14-16H,3,6-13H2,1-2H3/p+1/t15-/m0/s1