[4-[(2S)-3-(methylamino)-2-oxidanyl-propyl]piperazin-1-yl]-(2-methylphenyl)methanone

Systemtic Name: [4-[(2S)-3-(methylamino)-2-oxidanyl-propyl]piperazin-1-yl]-(2-methylphenyl)methanone Openeye Name: [4-[(2S)-2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-(o-tolyl)methanone CAS Name: [4-[(2S)-2-hydroxy-3-(methylamino)propyl]-1-piperazinyl]-(2-methylphenyl)methanone IUPAC Name: [4-[(2S)-2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-(2-methylphenyl)methanone Traditional Name: [4-[(2S)-2-hydroxy-3-(methylamino)propyl]piperazino]-(o-tolyl)methanone Formula: C16H25N3O2 MolecularWeight: 291.3886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)CC(CNC)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C[C@H](CNC)O

InChI

InChI=1S/C16H25N3O2/c1-13-5-3-4-6-15(13)16(21)19-9-7-18(8-10-19)12-14(20)11-17-2/h3-6,14,17,20H,7-12H2,1-2H3/t14-/m0/s1