5-ethyl-6-(4-methylphenyl)phenanthridin-5-ium-3,8-diamine bromide

Systemtic Name: 5-ethyl-6-(4-methylphenyl)phenanthridin-5-ium-3,8-diamine bromide Openeye Name: 5-ethyl-6-(p-tolyl)phenanthridin-5-ium-3,8-diamine bromide CAS Name: 5-ethyl-6-(4-methylphenyl)phenanthridin-5-ium-3,8-diamine bromide IUPAC Name: 5-ethyl-6-(4-methylphenyl)phenanthridin-5-ium-3,8-diamine bromide Traditional Name: [3-amino-5-ethyl-6-(p-tolyl)phenanthridin-5-ium-8-yl]amine bromide Formula: C22H22BrN3 MolecularWeight: 408.33418

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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)C)N)N.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3.BrH/c1-3-25-21-13-17(24)9-11-19(21)18-10-8-16(23)12-20(18)22(25)15-6-4-14(2)5-7-15;/h4-13,24H,3,23H2,1-2H3;1H