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

Systemtic Name: 2-[4-(3-azanylidene-1H-isoindol-2-yl)phenyl]carbonyloxyethyl-diethyl-azanium Openeye Name: diethyl-[2-[4-(1-iminoisoindolin-2-yl)benzoyl]oxyethyl]ammonium CAS Name: diethyl-[2-[[4-(3-imino-1H-isoindol-2-yl)phenyl]-oxomethoxy]ethyl]ammonium IUPAC Name: diethyl-[2-[4-(3-imino-1H-isoindol-2-yl)benzoyl]oxyethyl]azanium Traditional Name: diethyl-[2-[4-(1-iminoisoindolin-2-yl)benzoyl]oxyethyl]ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=N

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)N2CC3=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+1