[(1R)-2-methyl-1-phenyl-propyl]-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [(1R)-2-methyl-1-phenyl-propyl]-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [(1R)-2-methyl-1-phenyl-propyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-[(1R)-2-methyl-1-phenyl-propyl]ammonium Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)[NH2+]CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)[C@H](C1=CC=CC=C1)[NH2+]CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H27N5O/c1-16(2)19(17-7-4-3-5-8-17)23-15-18(26)24-11-13-25(14-12-24)20-21-9-6-10-22-20/h3-10,16,19,23H,11-15H2,1-2H3/p+1/t19-/m1/s1