methyl 4-[(1-benzamidopyridin-1-ium-2-yl)methyl]benzoate

Systemtic Name: methyl 4-[(1-benzamidopyridin-1-ium-2-yl)methyl]benzoate Openeye Name: methyl 4-[(1-benzamidopyridin-1-ium-2-yl)methyl]benzoate CAS Name: 4-[(1-benzamido-2-pyridin-1-iumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-benzamidopyridin-1-ium-2-yl)methyl]benzoate Traditional Name: 4-[(1-benzamidopyridin-1-ium-2-yl)methyl]benzoic acid methyl ester Formula: C21H19N2O3+ MolecularWeight: 347.38716

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC2=CC=CC=[N+]2NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC2=CC=CC=[N+]2NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O3/c1-26-21(25)18-12-10-16(11-13-18)15-19-9-5-6-14-23(19)22-20(24)17-7-3-2-4-8-17/h2-14H,15H2,1H3/p+1