N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-6-oxidanylidene-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-6-oxidanylidene-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]-6-keto-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide Formula: C17H23N6O3+ MolecularWeight: 359.40292

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=NCC(=O)N(N2)C3=CC=CC=C3)CC(=O)N

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=NCC(=O)N(N2)C3=CC=CC=C3)CC(=O)N

InChI

InChI=1S/C17H22N6O3/c18-14(24)11-22-8-6-12(7-9-22)20-17(26)16-19-10-15(25)23(21-16)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,18,24)(H,19,21)(H,20,26)/p+1