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

Systemtic Name: N-(6-methyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dipropyl-ethane-1,2-diamine Openeye Name: N-(6-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dipropyl-ethane-1,2-diamine CAS Name: N-(6-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dipropylethane-1,2-diamine IUPAC Name: N-(6-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dipropylethane-1,2-diamine Traditional Name: 2-[(6-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]ethyl-dipropyl-amine Formula: C16H25N5O MolecularWeight: 303.4026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N5O/c1-4-9-20(10-5-2)11-8-17-16-18-14-12-13(3)6-7-15(14)21(22)19-16/h6-7,12H,4-5,8-11H2,1-3H3,(H,17,18,19)