6-tert-butyl-1-oxidanidyl-N-(2-piperidin-1-ylethyl)-1,2,4-benzotriazin-1-ium-3-amine

Systemtic Name: 6-tert-butyl-1-oxidanidyl-N-(2-piperidin-1-ylethyl)-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 6-tert-butyl-1-oxido-N-[2-(1-piperidyl)ethyl]-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 6-tert-butyl-1-oxido-N-[2-(1-piperidinyl)ethyl]-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 6-tert-butyl-1-oxido-N-(2-piperidin-1-ylethyl)-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: (6-tert-butyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-(2-piperidinoethyl)amine Formula: C18H27N5O MolecularWeight: 329.43988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)[N+](=NC(=N2)NCCN3CCCCC3)[O-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)[N+](=NC(=N2)NCCN3CCCCC3)[O-]

InChI

InChI=1S/C18H27N5O/c1-18(2,3)14-7-8-16-15(13-14)20-17(21-23(16)24)19-9-12-22-10-5-4-6-11-22/h7-8,13H,4-6,9-12H2,1-3H3,(H,19,20,21)