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

Systemtic Name: methyl 4-[[4-(3-pyrrolidin-1-ylcarbonylphenoxy)piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[3-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[3-[oxo(1-pyrrolidinyl)methyl]phenoxy]-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-[3-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C25H31N2O4+ MolecularWeight: 423.52464

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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)N4CCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C25H30N2O4/c1-30-25(29)20-9-7-19(8-10-20)18-26-15-11-22(12-16-26)31-23-6-4-5-21(17-23)24(28)27-13-2-3-14-27/h4-10,17,22H,2-3,11-16,18H2,1H3/p+1