methyl 5-[[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[(3R)-3-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=CC=C(O1)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H21N3O3/c1-24-19(23)17-9-8-14(25-17)12-22-10-4-5-13(11-22)18-20-15-6-2-3-7-16(15)21-18/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,20,21)/p+1/t13-/m1/s1