2-[[3-(4-methoxyphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-(4-methoxyphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinolin-4-yl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[1-keto-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinoline-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC[NH+](C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC[NH+](C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O3/c1-24(2)14-13-23-21(26)19-17-7-5-6-8-18(17)22(27)25(3)20(19)15-9-11-16(28-4)12-10-15/h5-12,19-20H,13-14H2,1-4H3,(H,23,26)/p+1