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

Systemtic Name: 5-(2-ethoxyethyl)-6-phenyl-phenanthridin-5-ium-3,8-diamine; methanesulfonate Openeye Name: 5-(2-ethoxyethyl)-6-phenyl-phenanthridin-5-ium-3,8-diamine; methanesulfonate CAS Name: 5-(2-ethoxyethyl)-6-phenylphenanthridin-5-ium-3,8-diamine; methanesulfonate IUPAC Name: 5-(2-ethoxyethyl)-6-phenylphenanthridin-5-ium-3,8-diamine; methanesulfonate Traditional Name: [3-amino-5-(2-ethoxyethyl)-6-phenyl-phenanthridin-5-ium-8-yl]amine mesylate Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O.CH4O3S/c1-2-27-13-12-26-22-15-18(25)9-11-20(22)19-10-8-17(24)14-21(19)23(26)16-6-4-3-5-7-16;1-5(2,3)4/h3-11,14-15,25H,2,12-13,24H2,1H3;1H3,(H,2,3,4)