5-ethyl-2,4,10-trimethyl-6-(3-methylphenyl)phenanthridin-5-ium-3,8-diamine bromide

Systemtic Name: 5-ethyl-2,4,10-trimethyl-6-(3-methylphenyl)phenanthridin-5-ium-3,8-diamine bromide Openeye Name: 5-ethyl-2,4,10-trimethyl-6-(m-tolyl)phenanthridin-5-ium-3,8-diamine bromide CAS Name: 5-ethyl-2,4,10-trimethyl-6-(3-methylphenyl)phenanthridin-5-ium-3,8-diamine bromide IUPAC Name: 5-ethyl-2,4,10-trimethyl-6-(3-methylphenyl)phenanthridin-5-ium-3,8-diamine bromide Traditional Name: [3-amino-5-ethyl-2,4,10-trimethyl-6-(m-tolyl)phenanthridin-5-ium-8-yl]amine bromide Formula: C25H28BrN3 MolecularWeight: 450.41392

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C2=CC(=CC(=C2C3=CC(=C(C(=C31)C)N)C)C)N)C4=CC(=CC=C4)C.[Br-]

Isomeric SMILES

CC[N+]1=C(C2=CC(=CC(=C2C3=CC(=C(C(=C31)C)N)C)C)N)C4=CC(=CC=C4)C.[Br-]

InChI

InChI=1S/C25H27N3.BrH/c1-6-28-24-17(5)23(27)16(4)12-20(24)22-15(3)11-19(26)13-21(22)25(28)18-9-7-8-14(2)10-18;/h7-13,27H,6,26H2,1-5H3;1H