1-oxidanidyl-2-(4-propan-2-yloxyphenyl)-4,6-dipropoxy-1,2,3-triazin-1-ium-5-one

Systemtic Name: 1-oxidanidyl-2-(4-propan-2-yloxyphenyl)-4,6-dipropoxy-1,2,3-triazin-1-ium-5-one Openeye Name: 2-(4-isopropoxyphenyl)-1-oxido-4,6-dipropoxy-triazin-1-ium-5-one CAS Name: 1-oxido-2-(4-propan-2-yloxyphenyl)-4,6-dipropoxy-5-triazin-1-iumone IUPAC Name: 1-oxido-2-(4-propan-2-yloxyphenyl)-4,6-dipropoxytriazin-1-ium-5-one Traditional Name: 2-(4-isopropoxyphenyl)-1-oxido-4,6-dipropoxy-triazin-1-ium-5-one Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN([N+](=C(C1=O)OCCC)[O-])C2=CC=C(C=C2)OC(C)C

Isomeric SMILES

CCCOC1=NN([N+](=C(C1=O)OCCC)[O-])C2=CC=C(C=C2)OC(C)C

InChI

InChI=1S/C18H25N3O5/c1-5-11-24-17-16(22)18(25-12-6-2)21(23)20(19-17)14-7-9-15(10-8-14)26-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3