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

Systemtic Name: oxidanylidenemethylidene-[2-[1-oxidanyl-2-(2-phenylmethoxyethyl)pyrrolidin-1-ium-1-yl]pyrrolidin-1-yl]carbonyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[2-(2-benzyloxyethyl)-1-hydroxy-pyrrolidin-1-ium-1-yl]pyrrolidine-1-carbonyl]-(oxomethylene)ammonium CAS Name: [[2-[1-hydroxy-2-(2-phenylmethoxyethyl)-1-pyrrolidin-1-iumyl]-1-pyrrolidinyl]-oxomethyl]-(oxomethylidene)-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[1-hydroxy-2-(2-phenylmethoxyethyl)pyrrolidin-1-ium-1-yl]pyrrolidine-1-carbonyl]-(oxomethylidene)azanium Traditional Name: [2-[2-(2-benzoxyethyl)-1-hydroxy-pyrrolidin-1-ium-1-yl]pyrrolidine-1-carbonyl]-benzyl-(ketomethylene)ammonium Formula: C26H33N3O4+2 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)[N+](=C=O)CC2=CC=CC=C2)[N+]3(CCCC3CCOCC4=CC=CC=C4)O

Isomeric SMILES

C1CC(N(C1)C(=O)[N+](=C=O)CC2=CC=CC=C2)[N+]3(CCCC3CCOCC4=CC=CC=C4)O

InChI

InChI=1S/C26H33N3O4/c30-21-27(19-22-9-3-1-4-10-22)26(31)28-16-7-14-25(28)29(32)17-8-13-24(29)15-18-33-20-23-11-5-2-6-12-23/h1-6,9-12,24-25,32H,7-8,13-20H2/q+2