oxidanylidenemethylidene-[2-[1-oxidanyl-2-(2-phenylmethoxyethyl)pyrrolidin-1-ium-1-yl]pyrrolidin-1-yl]carbonyl-phenethyl-azanium

Systemtic Name: oxidanylidenemethylidene-[2-[1-oxidanyl-2-(2-phenylmethoxyethyl)pyrrolidin-1-ium-1-yl]pyrrolidin-1-yl]carbonyl-phenethyl-azanium Openeye Name: [2-[2-(2-benzyloxyethyl)-1-hydroxy-pyrrolidin-1-ium-1-yl]pyrrolidine-1-carbonyl]-(oxomethylene)-phenethyl-ammonium CAS Name: [[2-[1-hydroxy-2-(2-phenylmethoxyethyl)-1-pyrrolidin-1-iumyl]-1-pyrrolidinyl]-oxomethyl]-(oxomethylidene)-phenethylammonium IUPAC Name: [2-[1-hydroxy-2-(2-phenylmethoxyethyl)pyrrolidin-1-ium-1-yl]pyrrolidine-1-carbonyl]-(oxomethylidene)-phenethylazanium Traditional Name: [2-[2-(2-benzoxyethyl)-1-hydroxy-pyrrolidin-1-ium-1-yl]pyrrolidine-1-carbonyl]-(ketomethylene)-phenethyl-ammonium Formula: C27H35N3O4+2 MolecularWeight: 465.5845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)[N+](=C=O)CCC2=CC=CC=C2)[N+]3(CCCC3CCOCC4=CC=CC=C4)O

Isomeric SMILES

C1CC(N(C1)C(=O)[N+](=C=O)CCC2=CC=CC=C2)[N+]3(CCCC3CCOCC4=CC=CC=C4)O

InChI

InChI=1S/C27H35N3O4/c31-22-28(18-15-23-9-3-1-4-10-23)27(32)29-17-7-14-26(29)30(33)19-8-13-25(30)16-20-34-21-24-11-5-2-6-12-24/h1-6,9-12,25-26,33H,7-8,13-21H2/q+2