ethyl (3S)-1-piperazin-4-ium-1-ylsulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-piperazin-4-ium-1-ylsulfonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-piperazin-4-ium-1-ylsulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-(1-piperazin-4-iumylsulfonyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-piperazin-4-ium-1-ylsulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-piperazin-4-ium-1-ylsulfonylnipecotic acid ethyl ester Formula: C12H24N3O4S+ MolecularWeight: 306.40166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)S(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C12H23N3O4S/c1-2-19-12(16)11-4-3-7-15(10-11)20(17,18)14-8-5-13-6-9-14/h11,13H,2-10H2,1H3/p+1/t11-/m0/s1