methyl hydrogen sulfate; 5-methylphenanthridin-5-ium

Systemtic Name: methyl hydrogen sulfate; 5-methylphenanthridin-5-ium Openeye Name: methyl hydrogen sulfate; 5-methylphenanthridin-5-ium CAS Name: 5-methylphenanthridin-5-ium; sulfuric acid methyl ester IUPAC Name: methyl hydrogen sulfate; 5-methylphenanthridin-5-ium Traditional Name: 5-methylphenanthridin-5-ium; sulfuric acid methyl ester Formula: C15H16NO4S+ MolecularWeight: 306.35684

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC=CC=C2C3=CC=CC=C31.COS(=O)(=O)O

Isomeric SMILES

C[N+]1=CC2=CC=CC=C2C3=CC=CC=C31.COS(=O)(=O)O

InChI

InChI=1S/C14H12N.CH4O4S/c1-15-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15;1-5-6(2,3)4/h2-10H,1H3;1H3,(H,2,3,4)/q+1;