methyl 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]furan-3-carboxylate

Systemtic Name: methyl 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]furan-3-carboxylate Openeye Name: methyl 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]furan-3-carboxylate CAS Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]furan-3-carboxylate Traditional Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]furan-3-carboxylic acid methyl ester Formula: C18H20NO3+ MolecularWeight: 298.3563

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)C[NH+]2CCC(=CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(OC=C1)C[NH+]2CCC(=CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H19NO3/c1-21-18(20)16-9-12-22-17(16)13-19-10-7-15(8-11-19)14-5-3-2-4-6-14/h2-7,9,12H,8,10-11,13H2,1H3/p+1