2,3-bis(butoxymethyl)-1-oxidanylidene-5-phenyl-1,2,3-triazolidin-1-ium-4-one

Systemtic Name: 2,3-bis(butoxymethyl)-1-oxidanylidene-5-phenyl-1,2,3-triazolidin-1-ium-4-one Openeye Name: 2,3-bis(butoxymethyl)-1-oxo-5-phenyl-triazolidin-1-ium-4-one CAS Name: 2,3-bis(butoxymethyl)-1-oxo-5-phenyl-4-triazolidin-1-iumone IUPAC Name: 2,3-bis(butoxymethyl)-1-oxo-5-phenyltriazolidin-1-ium-4-one Traditional Name: 2,3-bis(butoxymethyl)-1-keto-5-phenyl-triazolidin-1-ium-4-one Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCN1C(=O)C([N+](=O)N1COCCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCOCN1C(=O)C([N+](=O)N1COCCCC)C2=CC=CC=C2

InChI

InChI=1S/C18H28N3O4/c1-3-5-12-24-14-19-18(22)17(16-10-8-7-9-11-16)21(23)20(19)15-25-13-6-4-2/h7-11,17H,3-6,12-15H2,1-2H3/q+1