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

Systemtic Name: 6-chloranyl-1-oxidanidyl-N-(2-piperidin-1-ylethyl)-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 6-chloro-1-oxido-N-[2-(1-piperidyl)ethyl]-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 6-chloro-1-oxido-N-[2-(1-piperidinyl)ethyl]-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 6-chloro-1-oxido-N-(2-piperidin-1-ylethyl)-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: (6-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-(2-piperidinoethyl)amine Formula: C14H18ClN5O MolecularWeight: 307.77862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC3=C(C=CC(=C3)Cl)[N+](=N2)[O-]

Isomeric SMILES

C1CCN(CC1)CCNC2=NC3=C(C=CC(=C3)Cl)[N+](=N2)[O-]

InChI

InChI=1S/C14H18ClN5O/c15-11-4-5-13-12(10-11)17-14(18-20(13)21)16-6-9-19-7-2-1-3-8-19/h4-5,10H,1-3,6-9H2,(H,16,17,18)