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

Systemtic Name: (3R)-4-(2-methylpropyl)-3-[2-oxidanylidene-2-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-isobutyl-3-[2-oxo-2-(4-thiomorpholin-4-ium-4-yl-1-piperidyl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-(2-methylpropyl)-3-[2-oxo-2-[4-(4-thiomorpholin-4-iumyl)-1-piperidinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-(2-methylpropyl)-3-[2-oxo-2-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-isobutyl-3-[2-keto-2-(4-thiomorpholin-4-ium-4-ylpiperidino)ethyl]piperazin-4-ium-2-one Formula: C19H36N4O2S+2 MolecularWeight: 384.57974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCNC(=O)C1CC(=O)N2CCC(CC2)[NH+]3CCSCC3

Isomeric SMILES

CC(C)C[NH+]1CCNC(=O)[C@H]1CC(=O)N2CCC(CC2)[NH+]3CCSCC3

InChI

InChI=1S/C19H34N4O2S/c1-15(2)14-23-8-5-20-19(25)17(23)13-18(24)22-6-3-16(4-7-22)21-9-11-26-12-10-21/h15-17H,3-14H2,1-2H3,(H,20,25)/p+2/t17-/m1/s1