(2,4-dimethylphenyl)methyl-methyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)CC(=O)N2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)CC(=O)N2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C20H27N5O/c1-16-5-6-18(17(2)13-16)14-23(3)15-19(26)24-9-11-25(12-10-24)20-21-7-4-8-22-20/h4-8,13H,9-12,14-15H2,1-3H3/p+1