(3R)-4-(cyclohexylmethyl)-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-4-(cyclohexylmethyl)-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-(cyclohexylmethyl)-3-(2-oxo-2-thiomorpholino-ethyl)piperazin-4-ium-2-one CAS Name: (3R)-4-(cyclohexylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-4-(cyclohexylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-4-ium-2-one Traditional Name: (3R)-4-(cyclohexylmethyl)-3-(2-keto-2-thiomorpholino-ethyl)piperazin-4-ium-2-one Formula: C17H30N3O2S+ MolecularWeight: 340.504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCNC(=O)C2CC(=O)N3CCSCC3

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCSCC3

InChI

InChI=1S/C17H29N3O2S/c21-16(19-8-10-23-11-9-19)12-15-17(22)18-6-7-20(15)13-14-4-2-1-3-5-14/h14-15H,1-13H2,(H,18,22)/p+1/t15-/m1/s1