6-[(E)-2-(4-dimethylaminophenyl)ethenyl]-5-methyl-phenanthridin-5-ium-3,8-diamine; methanesulfonate

Systemtic Name: 6-[(E)-2-(4-dimethylaminophenyl)ethenyl]-5-methyl-phenanthridin-5-ium-3,8-diamine; methanesulfonate Openeye Name: 6-[(E)-2-(4-dimethylaminophenyl)vinyl]-5-methyl-phenanthridin-5-ium-3,8-diamine; methanesulfonate CAS Name: 6-[(E)-2-(4-dimethylaminophenyl)ethenyl]-5-methylphenanthridin-5-ium-3,8-diamine; methanesulfonate IUPAC Name: 6-[(E)-2-(4-dimethylaminophenyl)ethenyl]-5-methylphenanthridin-5-ium-3,8-diamine; methanesulfonate Traditional Name: [4-[(E)-2-(3,8-diamino-5-methyl-phenanthridin-5-ium-6-yl)vinyl]phenyl]-dimethyl-amine mesylate Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C=CC4=CC=C(C=C4)N(C)C)N)N.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1/C=C/C4=CC=C(C=C4)N(C)C)N)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C24H24N4.CH4O3S/c1-27(2)19-9-4-16(5-10-19)6-13-23-22-14-17(25)7-11-20(22)21-12-8-18(26)15-24(21)28(23)3;1-5(2,3)4/h4-15,26H,25H2,1-3H3;1H3,(H,2,3,4)/b13-6+;