2-[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-isoquinoline-4-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-4-isoquinolinyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carbonyl]amino]ethyl-diethylazanium Traditional Name: diethyl-[2-[(1-keto-6,7-dimethoxy-2-p-phenetyl-isoquinoline-4-carbonyl)amino]ethyl]ammonium Formula: C26H34N3O5+ MolecularWeight: 468.56526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O5/c1-6-28(7-2)14-13-27-25(30)22-17-29(18-9-11-19(12-10-18)34-8-3)26(31)21-16-24(33-5)23(32-4)15-20(21)22/h9-12,15-17H,6-8,13-14H2,1-5H3,(H,27,30)/p+1