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

Systemtic Name: 1-oxidanidyl-N-(2-pyrrolidin-1-ylethyl)-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 1-oxido-N-(2-pyrrolidin-1-ylethyl)-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 1-oxido-N-[2-(1-pyrrolidinyl)ethyl]-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 1-oxido-N-(2-pyrrolidin-1-ylethyl)-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: (1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-(2-pyrrolidinoethyl)amine Formula: C13H17N5O MolecularWeight: 259.30698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC2=NC3=CC=CC=C3[N+](=N2)[O-]

Isomeric SMILES

C1CCN(C1)CCNC2=NC3=CC=CC=C3[N+](=N2)[O-]

InChI

InChI=1S/C13H17N5O/c19-18-12-6-2-1-5-11(12)15-13(16-18)14-7-10-17-8-3-4-9-17/h1-2,5-6H,3-4,7-10H2,(H,14,15,16)