methyl-[(2S)-3-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxidanyl-propyl]azanium

Systemtic Name: methyl-[(2S)-3-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[4-(2-methylpropanoyl)piperazin-1-yl]propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-[4-(2-methylpropanoyl)piperazin-1-yl]propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-(4-isobutyrylpiperazino)propyl]-methyl-ammonium Formula: C12H26N3O2+ MolecularWeight: 244.35374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)CC(C[NH2+]C)O

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C[C@H](C[NH2+]C)O

InChI

InChI=1S/C12H25N3O2/c1-10(2)12(17)15-6-4-14(5-7-15)9-11(16)8-13-3/h10-11,13,16H,4-9H2,1-3H3/p+1/t11-/m0/s1