ethyl (3S)-1-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-[[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazin-4-iumyl]sulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-[4-[2-(tert-butylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]sulfonylnipecotic acid ethyl ester Formula: C18H35N4O5S+ MolecularWeight: 419.5593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H34N4O5S/c1-5-27-17(24)15-7-6-8-22(13-15)28(25,26)21-11-9-20(10-12-21)14-16(23)19-18(2,3)4/h15H,5-14H2,1-4H3,(H,19,23)/p+1/t15-/m0/s1