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

Systemtic Name: propyl 4-[2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C24H25N2O3+ MolecularWeight: 389.4669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O3/c1-2-16-29-24(28)21-8-10-22(11-9-21)25-23(27)18-26-14-12-20(13-15-26)17-19-6-4-3-5-7-19/h3-15H,2,16-18H2,1H3/p+1