methyl 3-[[3-(pyrrol-1-ylmethyl)pyridin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[3-(pyrrol-1-ylmethyl)pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 3-[[3-(pyrrol-1-ylmethyl)pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[3-(1-pyrrolylmethyl)-1-pyridin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(pyrrol-1-ylmethyl)pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[3-(pyrrol-1-ylmethyl)pyridin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C19H19N2O2+ MolecularWeight: 307.36636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)C[N+]2=CC=CC(=C2)CN3C=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)C[N+]2=CC=CC(=C2)CN3C=CC=C3

InChI

InChI=1S/C19H19N2O2/c1-23-19(22)18-8-4-6-16(12-18)13-21-11-5-7-17(15-21)14-20-9-2-3-10-20/h2-12,15H,13-14H2,1H3/q+1