4-[(R)-benzotriazol-1-yl-(4-nitrophenyl)methyl]morpholin-4-ium

Systemtic Name: 4-[(R)-benzotriazol-1-yl-(4-nitrophenyl)methyl]morpholin-4-ium Openeye Name: 4-[(R)-benzotriazol-1-yl-(4-nitrophenyl)methyl]morpholin-4-ium CAS Name: 4-[(R)-1-benzotriazolyl-(4-nitrophenyl)methyl]morpholin-4-ium IUPAC Name: 4-[(R)-benzotriazol-1-yl-(4-nitrophenyl)methyl]morpholin-4-ium Traditional Name: 4-[(R)-benzotriazol-1-yl-(4-nitrophenyl)methyl]morpholin-4-ium Formula: C17H18N5O3+ MolecularWeight: 340.35652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O3/c23-22(24)14-7-5-13(6-8-14)17(20-9-11-25-12-10-20)21-16-4-2-1-3-15(16)18-19-21/h1-8,17H,9-12H2/p+1/t17-/m1/s1