N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxidanylidene-4-phenyl-4H-isoquinolin-2-ium-2-yl]ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxidanylidene-4-phenyl-4H-isoquinolin-2-ium-2-yl]ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenyl-4H-isoquinolin-2-ium-2-yl]ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenyl-4H-isoquinolin-2-ium-2-yl]ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenyl-4H-isoquinolin-2-ium-2-yl]ethyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[3-(dimethylaminomethyl)-1-keto-6-methoxy-4-phenyl-4H-isoquinolin-2-ium-2-yl]ethyl]-4-methyl-benzenesulfonamide Formula: C28H32N3O4S+ MolecularWeight: 506.63638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC[N+]2=C(C(C3=C(C2=O)C=CC(=C3)OC)C4=CC=CC=C4)CN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC[N+]2=C(C(C3=C(C2=O)C=CC(=C3)OC)C4=CC=CC=C4)CN(C)C

InChI

InChI=1S/C28H32N3O4S/c1-20-10-13-23(14-11-20)36(33,34)29-16-17-31-26(19-30(2)3)27(21-8-6-5-7-9-21)25-18-22(35-4)12-15-24(25)28(31)32/h5-15,18,27,29H,16-17,19H2,1-4H3/q+1