ethyl 4-[4-[(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]piperazin-4-ium-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]piperazin-4-ium-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(2R)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-1-piperazin-4-iumyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-4-ium-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(1R)-2-keto-1-methyl-2-pyrrolidino-ethyl]piperazin-4-ium-1-yl]sulfonylbenzoic acid ethyl ester Formula: C20H30N3O5S+ MolecularWeight: 424.5343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)N3CCCC3

InChI

InChI=1S/C20H29N3O5S/c1-3-28-20(25)17-6-8-18(9-7-17)29(26,27)23-14-12-21(13-15-23)16(2)19(24)22-10-4-5-11-22/h6-9,16H,3-5,10-15H2,1-2H3/p+1/t16-/m1/s1