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

Systemtic Name: methyl 4-[[4-(4-piperidin-1-ylcarbonylphenoxy)piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[4-(piperidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[4-[oxo(1-piperidinyl)methyl]phenoxy]-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[4-(piperidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-[4-(piperidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C26H33N2O4+ MolecularWeight: 437.55122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C26H32N2O4/c1-31-26(30)22-7-5-20(6-8-22)19-27-17-13-24(14-18-27)32-23-11-9-21(10-12-23)25(29)28-15-3-2-4-16-28/h5-12,24H,2-4,13-19H2,1H3/p+1