methyl 3-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-carbamoyl]benzoate

Systemtic Name: methyl 3-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-carbamoyl]benzoate Openeye Name: methyl 3-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-carbamoyl]benzoate CAS Name: 3-[[[(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-iumyl]methyl-methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methylcarbamoyl]benzoate Traditional Name: 3-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-carbamoyl]benzoic acid methyl ester Formula: C25H33N2O4+ MolecularWeight: 425.54052

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC[NH+](C1)CCC2=CC=C(C=C2)OC)C(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CN(C[C@H]1CCC[NH+](C1)CCC2=CC=C(C=C2)OC)C(=O)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C25H32N2O4/c1-26(24(28)21-7-4-8-22(16-21)25(29)31-3)17-20-6-5-14-27(18-20)15-13-19-9-11-23(30-2)12-10-19/h4,7-12,16,20H,5-6,13-15,17-18H2,1-3H3/p+1/t20-/m1/s1