N-(6-chloranyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dipropyl-ethane-1,2-diamine

Systemtic Name: N-(6-chloranyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dipropyl-ethane-1,2-diamine Openeye Name: N-(6-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dipropyl-ethane-1,2-diamine CAS Name: N-(6-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dipropylethane-1,2-diamine IUPAC Name: N-(6-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dipropylethane-1,2-diamine Traditional Name: 2-[(6-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]ethyl-dipropyl-amine Formula: C15H22ClN5O MolecularWeight: 323.82108

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CCNC1=NC2=C(C=CC(=C2)Cl)[N+](=N1)[O-]

Isomeric SMILES

CCCN(CCC)CCNC1=NC2=C(C=CC(=C2)Cl)[N+](=N1)[O-]

InChI

InChI=1S/C15H22ClN5O/c1-3-8-20(9-4-2)10-7-17-15-18-13-11-12(16)5-6-14(13)21(22)19-15/h5-6,11H,3-4,7-10H2,1-2H3,(H,17,18,19)