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

Systemtic Name: [(S)-(4-methylphenyl)-phenyl-methyl]-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-[(S)-phenyl(p-tolyl)methyl]ammonium CAS Name: [(S)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(S)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-[(S)-phenyl(p-tolyl)methyl]ammonium Formula: C24H28N5O+ MolecularWeight: 402.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)[NH2+]CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)[NH2+]CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H27N5O/c1-19-8-10-21(11-9-19)23(20-6-3-2-4-7-20)27-18-22(30)28-14-16-29(17-15-28)24-25-12-5-13-26-24/h2-13,23,27H,14-18H2,1H3/p+1/t23-/m0/s1