6-(4-aminophenyl)-5-methyl-phenanthridin-5-ium-8-amine; ethanesulfonate

Systemtic Name: 6-(4-aminophenyl)-5-methyl-phenanthridin-5-ium-8-amine; ethanesulfonate Openeye Name: 6-(4-aminophenyl)-5-methyl-phenanthridin-5-ium-8-amine; ethanesulfonate CAS Name: 6-(4-aminophenyl)-5-methyl-8-phenanthridin-5-iumamine; ethanesulfonate IUPAC Name: 6-(4-aminophenyl)-5-methylphenanthridin-5-ium-8-amine; ethanesulfonate Traditional Name: [4-(8-amino-5-methyl-phenanthridin-5-ium-6-yl)phenyl]amine esylate Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[O-].C[N+]1=C(C2=C(C=CC(=C2)N)C3=CC=CC=C31)C4=CC=C(C=C4)N

Isomeric SMILES

CCS(=O)(=O)[O-].C[N+]1=C(C2=C(C=CC(=C2)N)C3=CC=CC=C31)C4=CC=C(C=C4)N

InChI

InChI=1S/C20H17N3.C2H6O3S/c1-23-19-5-3-2-4-17(19)16-11-10-15(22)12-18(16)20(23)13-6-8-14(21)9-7-13;1-2-6(3,4)5/h2-12,21H,22H2,1H3;2H2,1H3,(H,3,4,5)