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

Systemtic Name: methyl-[(2S)-3-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[4-(3-methylbutanoyl)piperazin-1-yl]propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-[4-(3-methylbutanoyl)piperazin-1-yl]propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-(4-isovalerylpiperazino)propyl]-methyl-ammonium Formula: C13H28N3O2+ MolecularWeight: 258.38032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C[C@H](C[NH2+]C)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/p+1/t12-/m0/s1