1-oxidanidyl-4-oxidanyl-N-(2-pyrrolidin-1-ylethyl)-1,2,4-benzotriazin-1-ium-3-imine

Systemtic Name: 1-oxidanidyl-4-oxidanyl-N-(2-pyrrolidin-1-ylethyl)-1,2,4-benzotriazin-1-ium-3-imine Openeye Name: 4-hydroxy-1-oxido-N-(2-pyrrolidin-1-ylethyl)-1,2,4-benzotriazin-1-ium-3-imine CAS Name: 4-hydroxy-1-oxido-N-[2-(1-pyrrolidinyl)ethyl]-1,2,4-benzotriazin-1-ium-3-imine IUPAC Name: 4-hydroxy-1-oxido-N-(2-pyrrolidin-1-ylethyl)-1,2,4-benzotriazin-1-ium-3-imine Traditional Name: (4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)-(2-pyrrolidinoethyl)amine Formula: C13H17N5O2 MolecularWeight: 275.30638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN=C2N=[N+](C3=CC=CC=C3N2O)[O-]

Isomeric SMILES

C1CCN(C1)CCN=C2N=[N+](C3=CC=CC=C3N2O)[O-]

InChI

InChI=1S/C13H17N5O2/c19-17-11-5-1-2-6-12(11)18(20)15-13(17)14-7-10-16-8-3-4-9-16/h1-2,5-6,19H,3-4,7-10H2