2-[3-(dimethylaminomethyl)-6-methoxy-1-oxidanylidene-4-phenyl-4H-isoquinolin-2-ium-2-yl]ethanamide

Systemtic Name: 2-[3-(dimethylaminomethyl)-6-methoxy-1-oxidanylidene-4-phenyl-4H-isoquinolin-2-ium-2-yl]ethanamide Openeye Name: 2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenyl-4H-isoquinolin-2-ium-2-yl]acetamide CAS Name: 2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenyl-4H-isoquinolin-2-ium-2-yl]acetamide IUPAC Name: 2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenyl-4H-isoquinolin-2-ium-2-yl]acetamide Traditional Name: 2-[3-(dimethylaminomethyl)-1-keto-6-methoxy-4-phenyl-4H-isoquinolin-2-ium-2-yl]acetamide Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=[N+](C(=O)C2=C(C1C3=CC=CC=C3)C=C(C=C2)OC)CC(=O)N

Isomeric SMILES

CN(C)CC1=[N+](C(=O)C2=C(C1C3=CC=CC=C3)C=C(C=C2)OC)CC(=O)N

InChI

InChI=1S/C21H23N3O3/c1-23(2)12-18-20(14-7-5-4-6-8-14)17-11-15(27-3)9-10-16(17)21(26)24(18)13-19(22)25/h4-11,20H,12-13H2,1-3H3,(H-,22,25)/p+1