(3R)-5-oxidanylidene-1-[2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]ethyl]pyrrolidine-3-carboxylate

Systemtic Name: (3R)-5-oxidanylidene-1-[2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]ethyl]pyrrolidine-3-carboxylate Openeye Name: (3R)-5-oxo-1-[2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)-1-naphthyl]ethyl]pyrrolidine-3-carboxylate CAS Name: (3R)-5-oxo-1-[2-[2-[2-(1-pyrrolidin-1-iumyl)ethoxy]-1-naphthalenyl]ethyl]-3-pyrrolidinecarboxylate IUPAC Name: (3R)-5-oxo-1-[2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]ethyl]pyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-[2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)-1-naphthyl]ethyl]pyrrolidine-3-carboxylate Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=C(C3=CC=CC=C3C=C2)CCN4CC(CC4=O)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=C(C3=CC=CC=C3C=C2)CCN4C[C@@H](CC4=O)C(=O)[O-]

InChI

InChI=1S/C23H28N2O4/c26-22-15-18(23(27)28)16-25(22)12-9-20-19-6-2-1-5-17(19)7-8-21(20)29-14-13-24-10-3-4-11-24/h1-2,5-8,18H,3-4,9-16H2,(H,27,28)/t18-/m1/s1