4-[[4-(dimethylamino)-2-ethanoyl-1-methoxy-pyrrolidin-1-ium-1-yl]methoxy]benzoic acid

Systemtic Name: 4-[[4-(dimethylamino)-2-ethanoyl-1-methoxy-pyrrolidin-1-ium-1-yl]methoxy]benzoic acid Openeye Name: 4-[[2-acetyl-4-(dimethylamino)-1-methoxy-pyrrolidin-1-ium-1-yl]methoxy]benzoic acid CAS Name: 4-[[2-acetyl-4-(dimethylamino)-1-methoxy-1-pyrrolidin-1-iumyl]methoxy]benzoic acid IUPAC Name: 4-[[2-acetyl-4-(dimethylamino)-1-methoxypyrrolidin-1-ium-1-yl]methoxy]benzoic acid Traditional Name: 4-[[2-acetyl-4-(dimethylamino)-1-methoxy-pyrrolidin-1-ium-1-yl]methoxy]benzoic acid Formula: C17H25N2O5+ MolecularWeight: 337.3908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(C[N+]1(COC2=CC=C(C=C2)C(=O)O)OC)N(C)C

Isomeric SMILES

CC(=O)C1CC(C[N+]1(COC2=CC=C(C=C2)C(=O)O)OC)N(C)C

InChI

InChI=1S/C17H24N2O5/c1-12(20)16-9-14(18(2)3)10-19(16,23-4)11-24-15-7-5-13(6-8-15)17(21)22/h5-8,14,16H,9-11H2,1-4H3/p+1