2-[4-(3-azanyl-1H-isoindol-2-ium-2-yl)phenyl]carbonyloxyethyl-dimethyl-azanium

Systemtic Name: 2-[4-(3-azanyl-1H-isoindol-2-ium-2-yl)phenyl]carbonyloxyethyl-dimethyl-azanium Openeye Name: 2-[4-(3-amino-1H-isoindol-2-ium-2-yl)benzoyl]oxyethyl-dimethyl-ammonium CAS Name: 2-[[4-(3-amino-1H-isoindol-2-ium-2-yl)phenyl]-oxomethoxy]ethyl-dimethylammonium IUPAC Name: 2-[4-(3-amino-1H-isoindol-2-ium-2-yl)benzoyl]oxyethyl-dimethylazanium Traditional Name: 2-[4-(3-amino-1H-isoindol-2-ium-2-yl)benzoyl]oxyethyl-dimethyl-ammonium Formula: C19H23N3O2+2 MolecularWeight: 325.40482

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC(=O)C1=CC=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N

Isomeric SMILES

C[NH+](C)CCOC(=O)C1=CC=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N

InChI

InChI=1S/C19H21N3O2/c1-21(2)11-12-24-19(23)14-7-9-16(10-8-14)22-13-15-5-3-4-6-17(15)18(22)20/h3-10,20H,11-13H2,1-2H3/p+2