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

Systemtic Name: methyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C23H33N6O+ MolecularWeight: 409.54772

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCCCC2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCCCC2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H32N6O/c1-26(18-20-8-3-4-9-21(20)27-12-5-2-6-13-27)19-22(30)28-14-16-29(17-15-28)23-24-10-7-11-25-23/h3-4,7-11H,2,5-6,12-19H2,1H3/p+1