4-[(2-methoxy-5-nitro-phenyl)methyl]morpholin-4-ium

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)methyl]morpholin-4-ium Openeye Name: 4-[(2-methoxy-5-nitro-phenyl)methyl]morpholin-4-ium CAS Name: 4-[(2-methoxy-5-nitrophenyl)methyl]morpholin-4-ium IUPAC Name: 4-[(2-methoxy-5-nitrophenyl)methyl]morpholin-4-ium Traditional Name: 4-(2-methoxy-5-nitro-benzyl)morpholin-4-ium Formula: C12H17N2O4+ MolecularWeight: 253.27438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C[NH+]2CCOCC2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C[NH+]2CCOCC2

InChI

InChI=1S/C12H16N2O4/c1-17-12-3-2-11(14(15)16)8-10(12)9-13-4-6-18-7-5-13/h2-3,8H,4-7,9H2,1H3/p+1