1-[(2-methoxy-5-nitro-phenyl)methyl]piperidin-1-ium

Systemtic Name: 1-[(2-methoxy-5-nitro-phenyl)methyl]piperidin-1-ium Openeye Name: 1-[(2-methoxy-5-nitro-phenyl)methyl]piperidin-1-ium CAS Name: 1-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-ium IUPAC Name: 1-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-ium Traditional Name: 1-(2-methoxy-5-nitro-benzyl)piperidin-1-ium Formula: C13H19N2O3+ MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C[NH+]2CCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C[NH+]2CCCCC2

InChI

InChI=1S/C13H18N2O3/c1-18-13-6-5-12(15(16)17)9-11(13)10-14-7-3-2-4-8-14/h5-6,9H,2-4,7-8,10H2,1H3/p+1