methyl 4-[[4-[[3-(furan-2-yl)phenyl]carbamoyl]piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[[3-(furan-2-yl)phenyl]carbamoyl]piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[[3-(2-furyl)phenyl]carbamoyl]piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[[3-(2-furanyl)anilino]-oxomethyl]-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[[3-(furan-2-yl)phenyl]carbamoyl]piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-[[3-(2-furyl)phenyl]carbamoyl]piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC=CO4

InChI

InChI=1S/C25H26N2O4/c1-30-25(29)20-9-7-18(8-10-20)17-27-13-11-19(12-14-27)24(28)26-22-5-2-4-21(16-22)23-6-3-15-31-23/h2-10,15-16,19H,11-14,17H2,1H3,(H,26,28)/p+1