ethyl N-(5,6-dimethylphenanthridin-5-ium-8-yl)carbamate; methyl hydrogen sulfate

Systemtic Name: ethyl N-(5,6-dimethylphenanthridin-5-ium-8-yl)carbamate; methyl hydrogen sulfate Openeye Name: ethyl N-(5,6-dimethylphenanthridin-5-ium-8-yl)carbamate; methyl hydrogen sulfate CAS Name: N-(5,6-dimethyl-8-phenanthridin-5-iumyl)carbamic acid ethyl ester; sulfuric acid methyl ester IUPAC Name: ethyl N-(5,6-dimethylphenanthridin-5-ium-8-yl)carbamate; methyl hydrogen sulfate Traditional Name: N-(5,6-dimethylphenanthridin-5-ium-8-yl)carbamic acid ethyl ester; sulfuric acid methyl ester Formula: C19H23N2O6S+ MolecularWeight: 407.46072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3[N+](=C2C)C.COS(=O)(=O)O

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3[N+](=C2C)C.COS(=O)(=O)O

InChI

InChI=1S/C18H18N2O2.CH4O4S/c1-4-22-18(21)19-13-9-10-14-15-7-5-6-8-17(15)20(3)12(2)16(14)11-13;1-5-6(2,3)4/h5-11H,4H2,1-3H3;1H3,(H,2,3,4)/p+1