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

Systemtic Name: 2-[4-(3-azanyl-1H-isoindol-2-ium-2-yl)phenyl]carbonyloxyethyl-diethyl-azanium Openeye Name: 2-[4-(3-amino-1H-isoindol-2-ium-2-yl)benzoyl]oxyethyl-diethyl-ammonium CAS Name: 2-[[4-(3-amino-1H-isoindol-2-ium-2-yl)phenyl]-oxomethoxy]ethyl-diethylammonium IUPAC Name: 2-[4-(3-amino-1H-isoindol-2-ium-2-yl)benzoyl]oxyethyl-diethylazanium Traditional Name: 2-[4-(3-amino-1H-isoindol-2-ium-2-yl)benzoyl]oxyethyl-diethyl-ammonium Formula: C21H27N3O2+2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2/c1-3-23(4-2)13-14-26-21(25)16-9-11-18(12-10-16)24-15-17-7-5-6-8-19(17)20(24)22/h5-12,22H,3-4,13-15H2,1-2H3/p+2