ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]azanium

Systemtic Name: ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]azanium Openeye Name: ethyl-[2-(isopropylamino)-2-oxo-ethyl]-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ammonium CAS Name: ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]ammonium IUPAC Name: ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]azanium Traditional Name: ethyl-[2-(isopropylamino)-2-keto-ethyl]-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]ammonium Formula: C18H31N6O2+ MolecularWeight: 363.47774

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCC(=O)N1CCN(CC1)C2=NC=CC=N2)CC(=O)NC(C)C

Isomeric SMILES

CC[NH+](CCC(=O)N1CCN(CC1)C2=NC=CC=N2)CC(=O)NC(C)C

InChI

InChI=1S/C18H30N6O2/c1-4-22(14-16(25)21-15(2)3)9-6-17(26)23-10-12-24(13-11-23)18-19-7-5-8-20-18/h5,7-8,15H,4,6,9-14H2,1-3H3,(H,21,25)/p+1