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

Systemtic Name: butyl 4-[2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3/c1-2-3-17-30-25(29)22-9-11-23(12-10-22)26-24(28)19-27-15-13-21(14-16-27)18-20-7-5-4-6-8-20/h4-16H,2-3,17-19H2,1H3/p+1