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

Systemtic Name: (4-ethylphenyl)methyl-methyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: (4-ethylphenyl)methyl-methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: (4-ethylphenyl)methyl-methyl-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: (4-ethylphenyl)methyl-methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: (4-ethylbenzyl)-[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:

CCC1=CC=C(C=C1)C[NH+](C)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](C)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

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