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

Systemtic Name: methyl 3-[[3-(pyrrol-1-ylmethyl)pyridin-1-ium-1-yl]methyl]benzoate chloride Openeye Name: methyl 3-[[3-(pyrrol-1-ylmethyl)pyridin-1-ium-1-yl]methyl]benzoate chloride CAS Name: 3-[[3-(1-pyrrolylmethyl)-1-pyridin-1-iumyl]methyl]benzoic acid methyl ester chloride IUPAC Name: methyl 3-[[3-(pyrrol-1-ylmethyl)pyridin-1-ium-1-yl]methyl]benzoate chloride Traditional Name: 3-[[3-(pyrrol-1-ylmethyl)pyridin-1-ium-1-yl]methyl]benzoic acid methyl ester chloride Formula: C19H19ClN2O2 MolecularWeight: 342.81936

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C19H19N2O2.ClH/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;1H/q+1;/p-1