1-[(4-methoxy-3,5-dinitro-phenyl)methyl]piperidin-1-ium

Systemtic Name: 1-[(4-methoxy-3,5-dinitro-phenyl)methyl]piperidin-1-ium Openeye Name: 1-[(4-methoxy-3,5-dinitro-phenyl)methyl]piperidin-1-ium CAS Name: 1-[(4-methoxy-3,5-dinitrophenyl)methyl]piperidin-1-ium IUPAC Name: 1-[(4-methoxy-3,5-dinitrophenyl)methyl]piperidin-1-ium Traditional Name: 1-(4-methoxy-3,5-dinitro-benzyl)piperidin-1-ium Formula: C13H18N3O5+ MolecularWeight: 296.29912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-21-13-11(15(17)18)7-10(8-12(13)16(19)20)9-14-5-3-2-4-6-14/h7-8H,2-6,9H2,1H3/p+1