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

Systemtic Name: methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: methyl-[(2-morpholinophenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: methyl-[[2-(4-morpholinyl)phenyl]methyl]-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-methyl-(2-morpholinobenzyl)ammonium Formula: C22H31N6O2+ MolecularWeight: 411.52054

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCOCC2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCOCC2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H30N6O2/c1-25(17-19-5-2-3-6-20(19)26-13-15-30-16-14-26)18-21(29)27-9-11-28(12-10-27)22-23-7-4-8-24-22/h2-8H,9-18H2,1H3/p+1