ethyl 4-[2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-benzylpyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-benzylpyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-benzylpyridin-1-ium-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C23H23N2O3+ MolecularWeight: 375.44032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O3/c1-2-28-23(27)20-8-10-21(11-9-20)24-22(26)17-25-14-12-19(13-15-25)16-18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3/p+1