1-oxidanidyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-benzotriazin-1-ium-3-amine

Systemtic Name: 1-oxidanidyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 1-oxido-5-(2-pyrrolidin-1-ylethyl)-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 1-oxido-5-[2-(1-pyrrolidinyl)ethyl]-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 1-oxido-5-(2-pyrrolidin-1-ylethyl)-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: [1-oxido-5-(2-pyrrolidinoethyl)-1,2,4-benzotriazin-1-ium-3-yl]amine Formula: C13H17N5O MolecularWeight: 259.30698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC2=C3C(=CC=C2)[N+](=NC(=N3)N)[O-]

Isomeric SMILES

C1CCN(C1)CCC2=C3C(=CC=C2)[N+](=NC(=N3)N)[O-]

InChI

InChI=1S/C13H17N5O/c14-13-15-12-10(6-9-17-7-1-2-8-17)4-3-5-11(12)18(19)16-13/h3-5H,1-2,6-9H2,(H2,14,15,16)