4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]morpholin-4-ium

Systemtic Name: 4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]morpholin-4-ium Openeye Name: 4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]morpholin-4-ium CAS Name: 4-[(1-methyl-5-nitro-2-benzimidazolyl)methyl]morpholin-4-ium IUPAC Name: 4-[(1-methyl-5-nitrobenzimidazol-2-yl)methyl]morpholin-4-ium Traditional Name: 4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]morpholin-4-ium Formula: C13H17N4O3+ MolecularWeight: 277.29908

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C[NH+]3CCOCC3

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C[NH+]3CCOCC3

InChI

InChI=1S/C13H16N4O3/c1-15-12-3-2-10(17(18)19)8-11(12)14-13(15)9-16-4-6-20-7-5-16/h2-3,8H,4-7,9H2,1H3/p+1