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

Systemtic Name: 2-ethyl-1-[4-[(2R)-3-(methylamino)-2-oxidanyl-propyl]piperazin-1-yl]butan-1-one Openeye Name: 2-ethyl-1-[4-[(2R)-2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]butan-1-one CAS Name: 2-ethyl-1-[4-[(2R)-2-hydroxy-3-(methylamino)propyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-ethyl-1-[4-[(2R)-2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]butan-1-one Traditional Name: 2-ethyl-1-[4-[(2R)-2-hydroxy-3-(methylamino)propyl]piperazino]butan-1-one Formula: C14H29N3O2 MolecularWeight: 271.39896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H29N3O2/c1-4-12(5-2)14(19)17-8-6-16(7-9-17)11-13(18)10-15-3/h12-13,15,18H,4-11H2,1-3H3/t13-/m1/s1