methanesulfonate; 5-(2-methoxyethyl)-6-phenyl-phenanthridin-5-ium-3,8-diamine

Systemtic Name: methanesulfonate; 5-(2-methoxyethyl)-6-phenyl-phenanthridin-5-ium-3,8-diamine Openeye Name: methanesulfonate; 5-(2-methoxyethyl)-6-phenyl-phenanthridin-5-ium-3,8-diamine CAS Name: methanesulfonate; 5-(2-methoxyethyl)-6-phenylphenanthridin-5-ium-3,8-diamine IUPAC Name: methanesulfonate; 5-(2-methoxyethyl)-6-phenylphenanthridin-5-ium-3,8-diamine Traditional Name: [3-amino-5-(2-methoxyethyl)-6-phenyl-phenanthridin-5-ium-8-yl]amine mesylate Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

COCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.CS(=O)(=O)[O-]

Isomeric SMILES

COCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C22H21N3O.CH4O3S/c1-26-12-11-25-21-14-17(24)8-10-19(21)18-9-7-16(23)13-20(18)22(25)15-5-3-2-4-6-15;1-5(2,3)4/h2-10,13-14,24H,11-12,23H2,1H3;1H3,(H,2,3,4)