5-ethyl-6-(4-ethylsulfonylphenyl)phenanthridin-5-ium-3,8-diamine chloride

Systemtic Name: 5-ethyl-6-(4-ethylsulfonylphenyl)phenanthridin-5-ium-3,8-diamine chloride Openeye Name: 5-ethyl-6-(4-ethylsulfonylphenyl)phenanthridin-5-ium-3,8-diamine chloride CAS Name: 5-ethyl-6-(4-ethylsulfonylphenyl)phenanthridin-5-ium-3,8-diamine chloride IUPAC Name: 5-ethyl-6-(4-ethylsulfonylphenyl)phenanthridin-5-ium-3,8-diamine chloride Traditional Name: [3-amino-6-(4-esylphenyl)-5-ethyl-phenanthridin-5-ium-8-yl]amine chloride Formula: C23H24ClN3O2S MolecularWeight: 441.97356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O2S.ClH/c1-3-26-22-14-17(25)8-12-20(22)19-11-7-16(24)13-21(19)23(26)15-5-9-18(10-6-15)29(27,28)4-2;/h5-14,25H,3-4,24H2,1-2H3;1H