(3R)-4-(cyclohexylmethyl)-3-[2-oxidanylidene-2-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-(cyclohexylmethyl)-3-[2-oxidanylidene-2-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-(cyclohexylmethyl)-3-[2-oxo-2-(4-thiomorpholin-4-ium-4-yl-1-piperidyl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-(cyclohexylmethyl)-3-[2-oxo-2-[4-(4-thiomorpholin-4-iumyl)-1-piperidinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-(cyclohexylmethyl)-3-[2-oxo-2-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-(cyclohexylmethyl)-3-[2-keto-2-(4-thiomorpholin-4-ium-4-ylpiperidino)ethyl]piperazin-4-ium-2-one Formula: C22H40N4O2S+2 MolecularWeight: 424.6436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCNC(=O)C2CC(=O)N3CCC(CC3)[NH+]4CCSCC4

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCC(CC3)[NH+]4CCSCC4

InChI

InChI=1S/C22H38N4O2S/c27-21(25-9-6-19(7-10-25)24-12-14-29-15-13-24)16-20-22(28)23-8-11-26(20)17-18-4-2-1-3-5-18/h18-20H,1-17H2,(H,23,28)/p+2/t20-/m1/s1