5,6-dimethylphenanthridin-5-ium-3,8-diamine; methyl sulfate

Systemtic Name: 5,6-dimethylphenanthridin-5-ium-3,8-diamine; methyl sulfate Openeye Name: 5,6-dimethylphenanthridin-5-ium-3,8-diamine; methyl sulfate CAS Name: 5,6-dimethylphenanthridin-5-ium-3,8-diamine; methyl sulfate IUPAC Name: 5,6-dimethylphenanthridin-5-ium-3,8-diamine; methyl sulfate Traditional Name: (3-amino-5,6-dimethyl-phenanthridin-5-ium-8-yl)amine; methyl sulfate Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC2=C3C=CC(=CC3=[N+]1C)N)N.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=C2C=C(C=CC2=C3C=CC(=CC3=[N+]1C)N)N.COS(=O)(=O)[O-]

InChI

InChI=1S/C15H15N3.CH4O4S/c1-9-14-7-10(16)3-5-12(14)13-6-4-11(17)8-15(13)18(9)2;1-5-6(2,3)4/h3-8,17H,16H2,1-2H3;1H3,(H,2,3,4)