[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate

Systemtic Name: [(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate Openeye Name: [(1R)-2-[(2-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate CAS Name: 4-(1-pyrrolidin-1-iumylmethyl)benzoic acid [(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate Traditional Name: 4-(pyrrolidin-1-ium-1-ylmethyl)benzoic acid [(1R)-2-keto-1-methyl-2-(o-anisylamino)ethyl] ester Formula: C23H29N2O4+ MolecularWeight: 397.48736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)OC(=O)C2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1OC)OC(=O)C2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C23H28N2O4/c1-17(22(26)24-15-20-7-3-4-8-21(20)28-2)29-23(27)19-11-9-18(10-12-19)16-25-13-5-6-14-25/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H,24,26)/p+1/t17-/m1/s1