2-[[4-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]azaniumyl]ethanoate

Systemtic Name: 2-[[4-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]azaniumyl]ethanoate Openeye Name: 2-[[4-[(2-oxido-2-oxo-ethyl)amino]-6-(1-piperidyl)-1,3,5-triazin-2-yl]ammonio]acetate CAS Name: 2-[[4-[(2-oxido-2-oxoethyl)amino]-6-(1-piperidinyl)-1,3,5-triazin-2-yl]ammonio]acetate IUPAC Name: 2-[[4-[(2-oxido-2-oxoethyl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]azaniumyl]acetate Traditional Name: 2-[[4-[(2-keto-2-oxido-ethyl)amino]-6-piperidino-s-triazin-2-yl]ammonio]acetate Formula: C12H17N6O4- MolecularWeight: 309.30118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC(=N2)[NH2+]CC(=O)[O-])NCC(=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)[NH2+]CC(=O)[O-])NCC(=O)[O-]

InChI

InChI=1S/C12H18N6O4/c19-8(20)6-13-10-15-11(14-7-9(21)22)17-12(16-10)18-4-2-1-3-5-18/h1-7H2,(H,19,20)(H,21,22)(H2,13,14,15,16,17)/p-1