2-[[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-4-yl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[[3-(3,4-dimethoxyphenyl)-1-keto-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinoline-4-carbonyl]amino]ethyl-diethyl-ammonium Formula: C27H38N3O6+ MolecularWeight: 500.60712

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1C(N(C(=O)C2=CC(=C(C=C12)OC)OC)C)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1C(N(C(=O)C2=CC(=C(C=C12)OC)OC)C)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H37N3O6/c1-8-30(9-2)13-12-28-26(31)24-18-15-22(35-6)23(36-7)16-19(18)27(32)29(3)25(24)17-10-11-20(33-4)21(14-17)34-5/h10-11,14-16,24-25H,8-9,12-13H2,1-7H3,(H,28,31)/p+1