methyl-[(2S)-2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]azanium

Systemtic Name: methyl-[(2S)-2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-[4-(2-pyrimidyl)piperazino]propyl]-methyl-ammonium Formula: C12H22N5O+ MolecularWeight: 252.33598

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CN1CCN(CC1)C2=NC=CC=N2)O

Isomeric SMILES

C[NH2+]C[C@@H](CN1CCN(CC1)C2=NC=CC=N2)O

InChI

InChI=1S/C12H21N5O/c1-13-9-11(18)10-16-5-7-17(8-6-16)12-14-3-2-4-15-12/h2-4,11,13,18H,5-10H2,1H3/p+1/t11-/m0/s1