6-ethoxy-N-(3-morpholin-4-ylpropyl)-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-imine

Systemtic Name: 6-ethoxy-N-(3-morpholin-4-ylpropyl)-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-imine Openeye Name: 6-ethoxy-4-hydroxy-N-(3-morpholinopropyl)-1-oxido-1,2,4-benzotriazin-1-ium-3-imine CAS Name: 6-ethoxy-4-hydroxy-N-[3-(4-morpholinyl)propyl]-1-oxido-1,2,4-benzotriazin-1-ium-3-imine IUPAC Name: 6-ethoxy-4-hydroxy-N-(3-morpholin-4-ylpropyl)-1-oxido-1,2,4-benzotriazin-1-ium-3-imine Traditional Name: (6-ethoxy-4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)-(3-morpholinopropyl)amine Formula: C16H23N5O4 MolecularWeight: 349.38492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[N+](=NC(=NCCCN3CCOCC3)N2O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)[N+](=NC(=NCCCN3CCOCC3)N2O)[O-]

InChI

InChI=1S/C16H23N5O4/c1-2-25-13-4-5-14-15(12-13)20(22)16(18-21(14)23)17-6-3-7-19-8-10-24-11-9-19/h4-5,12,22H,2-3,6-11H2,1H3