1-(benzotriazol-1-yl)-2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)ethanimine

Systemtic Name: 1-(benzotriazol-1-yl)-2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)ethanimine Openeye Name: 1-(benzotriazol-1-yl)-2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)ethanimine CAS Name: 1-(1-benzotriazolyl)-2-(4-morpholin-4-iumyl)-N-(3-nitrophenyl)ethanimine IUPAC Name: 1-(benzotriazol-1-yl)-2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)ethanimine Traditional Name: [1-(benzotriazol-1-yl)-2-morpholin-4-ium-4-yl-ethylidene]-(3-nitrophenyl)amine Formula: C18H19N6O3+ MolecularWeight: 367.38186

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=NC2=CC(=CC=C2)[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1COCC[NH+]1CC(=NC2=CC(=CC=C2)[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H18N6O3/c25-24(26)15-5-3-4-14(12-15)19-18(13-22-8-10-27-11-9-22)23-17-7-2-1-6-16(17)20-21-23/h1-7,12H,8-11,13H2/p+1