2-[[2-(4-chlorophenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[2-(4-chlorophenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[2-(4-chlorophenyl)-1-oxo-isoquinoline-4-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[2-(4-chlorophenyl)-1-oxo-4-isoquinolinyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[2-(4-chlorophenyl)-1-oxoisoquinoline-4-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[[2-(4-chlorophenyl)-1-keto-isoquinoline-4-carbonyl]amino]ethyl-diethyl-ammonium Formula: C22H25ClN3O2+ MolecularWeight: 398.9058

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H24ClN3O2/c1-3-25(4-2)14-13-24-21(27)20-15-26(17-11-9-16(23)10-12-17)22(28)19-8-6-5-7-18(19)20/h5-12,15H,3-4,13-14H2,1-2H3,(H,24,27)/p+1