[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate CAS Name: 2-[methyl(2-pyrimidinyl)amino]acetic acid [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate Traditional Name: 2-[methyl(2-pyrimidyl)amino]acetic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C18H23N6O3+ MolecularWeight: 371.41362

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)C3=NC=CC=N3

Isomeric SMILES

CN(CC(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)C3=NC=CC=N3

InChI

InChI=1S/C18H22N6O3/c1-22(18-20-7-4-8-21-18)13-17(26)27-14-16(25)24-11-9-23(10-12-24)15-5-2-3-6-19-15/h2-8H,9-14H2,1H3/p+1