3-methyl-1-[4-[(2S)-3-(methylamino)-2-oxidanyl-propyl]piperazin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[(2S)-3-(methylamino)-2-oxidanyl-propyl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[(2S)-2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[(2S)-2-hydroxy-3-(methylamino)propyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[(2S)-2-hydroxy-3-(methylamino)propyl]piperazino]-3-methyl-butan-1-one Formula: C13H27N3O2 MolecularWeight: 257.37238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)CC(CNC)O

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C[C@H](CNC)O

InChI

InChI=1S/C13H27N3O2/c1-11(2)8-13(18)16-6-4-15(5-7-16)10-12(17)9-14-3/h11-12,14,17H,4-10H2,1-3H3/t12-/m0/s1