oxidanylidenemethylidene-[2-[1-oxidanyl-2-(4-phenylmethoxybutyl)pyrrolidin-1-ium-1-yl]pyrrolidin-1-yl]carbonyl-(phenylmethyl)azanium

Systemtic Name: oxidanylidenemethylidene-[2-[1-oxidanyl-2-(4-phenylmethoxybutyl)pyrrolidin-1-ium-1-yl]pyrrolidin-1-yl]carbonyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[2-(4-benzyloxybutyl)-1-hydroxy-pyrrolidin-1-ium-1-yl]pyrrolidine-1-carbonyl]-(oxomethylene)ammonium CAS Name: [[2-[1-hydroxy-2-(4-phenylmethoxybutyl)-1-pyrrolidin-1-iumyl]-1-pyrrolidinyl]-oxomethyl]-(oxomethylidene)-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[1-hydroxy-2-(4-phenylmethoxybutyl)pyrrolidin-1-ium-1-yl]pyrrolidine-1-carbonyl]-(oxomethylidene)azanium Traditional Name: [2-[2-(4-benzoxybutyl)-1-hydroxy-pyrrolidin-1-ium-1-yl]pyrrolidine-1-carbonyl]-benzyl-(ketomethylene)ammonium Formula: C28H37N3O4+2 MolecularWeight: 479.61108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)[N+](=C=O)CC2=CC=CC=C2)[N+]3(CCCC3CCCCOCC4=CC=CC=C4)O

Isomeric SMILES

C1CC(N(C1)C(=O)[N+](=C=O)CC2=CC=CC=C2)[N+]3(CCCC3CCCCOCC4=CC=CC=C4)O

InChI

InChI=1S/C28H37N3O4/c32-23-29(21-24-11-3-1-4-12-24)28(33)30-18-9-17-27(30)31(34)19-10-16-26(31)15-7-8-20-35-22-25-13-5-2-6-14-25/h1-6,11-14,26-27,34H,7-10,15-22H2/q+2