5-methyl-[1,3]dioxolo[4,5-j]phenanthridin-5-ium; methyl sulfate

Systemtic Name: 5-methyl-[1,3]dioxolo[4,5-j]phenanthridin-5-ium; methyl sulfate Openeye Name: 5-methyl-[1,3]dioxolo[4,5-j]phenanthridin-5-ium; methyl sulfate CAS Name: 5-methyl-[1,3]dioxolo[4,5-j]phenanthridin-5-ium; methyl sulfate IUPAC Name: 5-methyl-[1,3]dioxolo[4,5-j]phenanthridin-5-ium; methyl sulfate Traditional Name: 5-methyl-[1,3]dioxolo[4,5-j]phenanthridin-5-ium; methyl sulfate Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC3=C(C=C2C4=CC=CC=C41)OCO3.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC2=CC3=C(C=C2C4=CC=CC=C41)OCO3.COS(=O)(=O)[O-]

InChI

InChI=1S/C15H12NO2.CH4O4S/c1-16-8-10-6-14-15(18-9-17-14)7-12(10)11-4-2-3-5-13(11)16;1-5-6(2,3)4/h2-8H,9H2,1H3;1H3,(H,2,3,4)/q+1;/p-1