[(2S,3S)-3-methyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-3-methyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]azanium Openeye Name: [(1S,2S)-2-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)butyl]ammonium CAS Name: [(2S,3S)-3-methyl-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]pentan-2-yl]ammonium IUPAC Name: [(2S,3S)-3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]azanium Traditional Name: [(1S,2S)-2-methyl-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]butyl]ammonium Formula: C14H24N5O+ MolecularWeight: 278.37326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C2=NC=CC=N2)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC=CC=N2)[NH3+]

InChI

InChI=1S/C14H23N5O/c1-3-11(2)12(15)13(20)18-7-9-19(10-8-18)14-16-5-4-6-17-14/h4-6,11-12H,3,7-10,15H2,1-2H3/p+1/t11-,12-/m0/s1