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

Systemtic Name: 2-[4-[3-[(4-chlorophenyl)carbamoylimino]-1H-isoindol-2-yl]phenyl]carbonyloxyethyl-diethyl-azanium Openeye Name: 2-[4-[1-[(4-chlorophenyl)carbamoylimino]isoindolin-2-yl]benzoyl]oxyethyl-diethyl-ammonium CAS Name: 2-[[4-[3-[(4-chloroanilino)-oxomethyl]imino-1H-isoindol-2-yl]phenyl]-oxomethoxy]ethyl-diethylammonium IUPAC Name: 2-[4-[3-[(4-chlorophenyl)carbamoylimino]-1H-isoindol-2-yl]benzoyl]oxyethyl-diethylazanium Traditional Name: 2-[4-[1-[(4-chlorophenyl)carbamoylimino]isoindolin-2-yl]benzoyl]oxyethyl-diethyl-ammonium Formula: C28H30ClN4O3+ MolecularWeight: 506.0158

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H29ClN4O3/c1-3-32(4-2)17-18-36-27(34)20-9-15-24(16-10-20)33-19-21-7-5-6-8-25(21)26(33)31-28(35)30-23-13-11-22(29)12-14-23/h5-16H,3-4,17-19H2,1-2H3,(H,30,35)/p+1