2-[[2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[2-(3,4-dimethylphenyl)-1-oxo-isoquinoline-4-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[2-(3,4-dimethylphenyl)-1-oxo-4-isoquinolinyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[2-(3,4-dimethylphenyl)-1-oxoisoquinoline-4-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[[2-(3,4-dimethylphenyl)-1-keto-isoquinoline-4-carbonyl]amino]ethyl-diethyl-ammonium Formula: C24H30N3O2+ MolecularWeight: 392.5139

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O2/c1-5-26(6-2)14-13-25-23(28)22-16-27(19-12-11-17(3)18(4)15-19)24(29)21-10-8-7-9-20(21)22/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,25,28)/p+1