methyl 4-[[4-[3-(2-methoxyethylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[3-(2-methoxyethylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[3-(2-methoxyethylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[3-[(2-methoxyethylamino)-oxomethyl]phenoxy]-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-(2-methoxyethylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-[3-(2-methoxyethylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C24H31N2O5+ MolecularWeight: 427.51334

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC(=CC=C1)OC2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COCCNC(=O)C1=CC(=CC=C1)OC2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H30N2O5/c1-29-15-12-25-23(27)20-4-3-5-22(16-20)31-21-10-13-26(14-11-21)17-18-6-8-19(9-7-18)24(28)30-2/h3-9,16,21H,10-15,17H2,1-2H3,(H,25,27)/p+1