methyl 4-[[4-(3-morpholin-4-ylcarbonylphenoxy)piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(3-morpholin-4-ylcarbonylphenoxy)piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[3-[4-morpholinyl(oxo)methyl]phenoxy]-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C25H31N2O5+ MolecularWeight: 439.52404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)N4CCOCC4

InChI

InChI=1S/C25H30N2O5/c1-30-25(29)20-7-5-19(6-8-20)18-26-11-9-22(10-12-26)32-23-4-2-3-21(17-23)24(28)27-13-15-31-16-14-27/h2-8,17,22H,9-16,18H2,1H3/p+1