[1-(2-methoxyphenoxy)-3-[4-(1-oxidanidyl-3-phenyl-imidazole-1,3-diium-1-yl)piperidin-1-yl]propan-2-yl] ethanoate

Systemtic Name: [1-(2-methoxyphenoxy)-3-[4-(1-oxidanidyl-3-phenyl-imidazole-1,3-diium-1-yl)piperidin-1-yl]propan-2-yl] ethanoate Openeye Name: [1-[(2-methoxyphenoxy)methyl]-2-[4-(1-oxido-3-phenyl-imidazole-1,3-diium-1-yl)-1-piperidyl]ethyl] acetate CAS Name: acetic acid [1-(2-methoxyphenoxy)-3-[4-(1-oxido-3-phenyl-1-imidazole-1,3-diiumyl)-1-piperidinyl]propan-2-yl] ester IUPAC Name: [1-(2-methoxyphenoxy)-3-[4-(1-oxido-3-phenylimidazole-1,3-diium-1-yl)piperidin-1-yl]propan-2-yl] acetate Traditional Name: acetic acid [1-[(2-methoxyphenoxy)methyl]-2-[4-(1-oxido-3-phenyl-imidazole-1,3-diium-1-yl)piperidino]ethyl] ester Formula: C26H32N3O5+ MolecularWeight: 466.54938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CN1CCC(CC1)[N+]2(C=C[N+](=C2)C3=CC=CC=C3)[O-])COC4=CC=CC=C4OC

Isomeric SMILES

CC(=O)OC(CN1CCC(CC1)[N+]2(C=C[N+](=C2)C3=CC=CC=C3)[O-])COC4=CC=CC=C4OC

InChI

InChI=1S/C26H32N3O5/c1-21(30)34-24(19-33-26-11-7-6-10-25(26)32-2)18-27-14-12-23(13-15-27)29(31)17-16-28(20-29)22-8-4-3-5-9-22/h3-11,16-17,20,23-24H,12-15,18-19H2,1-2H3/q+1