methyl hydrogen sulfate; 2-methyl-6-phenyl-benzo[h]isoquinolin-2-ium

Systemtic Name: methyl hydrogen sulfate; 2-methyl-6-phenyl-benzo[h]isoquinolin-2-ium Openeye Name: methyl hydrogen sulfate; 2-methyl-6-phenyl-benzo[h]isoquinolin-2-ium CAS Name: 2-methyl-6-phenylbenzo[h]isoquinolin-2-ium; sulfuric acid methyl ester IUPAC Name: methyl hydrogen sulfate; 2-methyl-6-phenylbenzo[h]isoquinolin-2-ium Traditional Name: 2-methyl-6-phenyl-benz[h]isoquinolin-2-ium; sulfuric acid methyl ester Formula: C21H20NO4S+ MolecularWeight: 382.4528

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C=C(C3=CC=CC=C32)C4=CC=CC=C4.COS(=O)(=O)O

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C=C(C3=CC=CC=C32)C4=CC=CC=C4.COS(=O)(=O)O

InChI

InChI=1S/C20H16N.CH4O4S/c1-21-12-11-16-13-19(15-7-3-2-4-8-15)17-9-5-6-10-18(17)20(16)14-21;1-5-6(2,3)4/h2-14H,1H3;1H3,(H,2,3,4)/q+1;