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

Systemtic Name: N-(1-oxidanidyl-6-propan-2-yl-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dipropyl-ethane-1,2-diamine Openeye Name: N-(6-isopropyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dipropyl-ethane-1,2-diamine CAS Name: N-(1-oxido-6-propan-2-yl-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dipropylethane-1,2-diamine IUPAC Name: N-(1-oxido-6-propan-2-yl-1,2,4-benzotriazin-1-ium-3-yl)-N',N'-dipropylethane-1,2-diamine Traditional Name: 2-[(6-isopropyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]ethyl-dipropyl-amine Formula: C18H29N5O MolecularWeight: 331.45576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O/c1-5-10-22(11-6-2)12-9-19-18-20-16-13-15(14(3)4)7-8-17(16)23(24)21-18/h7-8,13-14H,5-6,9-12H2,1-4H3,(H,19,20,21)