methyl 2-[[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]carbamoyl]benzoate

Systemtic Name: methyl 2-[[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]carbamoyl]benzoate Openeye Name: methyl 2-[[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]carbamoyl]benzoate CAS Name: 2-[[[(2R)-2-(4-dimethylaminophenyl)-2-(4-morpholin-4-iumyl)ethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-ylethyl]carbamoyl]benzoate Traditional Name: 2-[[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]carbamoyl]benzoic acid methyl ester Formula: C23H30N3O4+ MolecularWeight: 412.502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2C(=O)OC)[NH+]3CCOCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=CC=C2C(=O)OC)[NH+]3CCOCC3

InChI

InChI=1S/C23H29N3O4/c1-25(2)18-10-8-17(9-11-18)21(26-12-14-30-15-13-26)16-24-22(27)19-6-4-5-7-20(19)23(28)29-3/h4-11,21H,12-16H2,1-3H3,(H,24,27)/p+1/t21-/m0/s1