methyl 2-[2-[1-methyl-6-(4-phenylmethoxyphenoxy)pyridin-1-ium-3-yl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[1-methyl-6-(4-phenylmethoxyphenoxy)pyridin-1-ium-3-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[6-(4-benzyloxyphenoxy)-1-methyl-pyridin-1-ium-3-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[1-methyl-6-(4-phenylmethoxyphenoxy)-3-pyridin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[1-methyl-6-(4-phenylmethoxyphenoxy)pyridin-1-ium-3-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[6-(4-benzoxyphenoxy)-1-methyl-pyridin-1-ium-3-yl]acetyl]amino]benzoic acid methyl ester Formula: C29H27N2O5+ MolecularWeight: 483.53508

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC(=C1)CC(=O)NC2=CC=CC=C2C(=O)OC)OC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C[N+]1=C(C=CC(=C1)CC(=O)NC2=CC=CC=C2C(=O)OC)OC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H26N2O5/c1-31-19-22(18-27(32)30-26-11-7-6-10-25(26)29(33)34-2)12-17-28(31)36-24-15-13-23(14-16-24)35-20-21-8-4-3-5-9-21/h3-17,19H,18,20H2,1-2H3/p+1