1-(6-methoxy-1-methylsulfonyl-4-phenyl-isoquinolin-3-yl)-N,N-dimethyl-methanamine oxide

Systemtic Name: 1-(6-methoxy-1-methylsulfonyl-4-phenyl-isoquinolin-3-yl)-N,N-dimethyl-methanamine oxide Openeye Name: 1-(6-methoxy-1-methylsulfonyl-4-phenyl-3-isoquinolyl)-N,N-dimethyl-methanamine oxide CAS Name: 1-(6-methoxy-1-methylsulfonyl-4-phenyl-3-isoquinolinyl)-N,N-dimethylmethanamine oxide IUPAC Name: 1-(6-methoxy-1-methylsulfonyl-4-phenylisoquinolin-3-yl)-N,N-dimethylmethanamine oxide Traditional Name: 1-(1-mesyl-6-methoxy-4-phenyl-3-isoquinolyl)-N,N-dimethyl-methanamine oxide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=C(C2=C(C=CC(=C2)OC)C(=N1)S(=O)(=O)C)C3=CC=CC=C3)[O-]

Isomeric SMILES

C[N+](C)(CC1=C(C2=C(C=CC(=C2)OC)C(=N1)S(=O)(=O)C)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H22N2O4S/c1-22(2,23)13-18-19(14-8-6-5-7-9-14)17-12-15(26-3)10-11-16(17)20(21-18)27(4,24)25/h5-12H,13H2,1-4H3