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

Systemtic Name: 2-[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-isoquinoline-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-4-isoquinolinyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(1-keto-6,7-dimethoxy-2-p-phenetyl-isoquinoline-4-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C24H30N3O5+ MolecularWeight: 440.5121

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)NCC[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C24H29N3O5/c1-6-32-17-9-7-16(8-10-17)27-15-20(23(28)25-11-12-26(2)3)18-13-21(30-4)22(31-5)14-19(18)24(27)29/h7-10,13-15H,6,11-12H2,1-5H3,(H,25,28)/p+1