5-methyl-6-(phenylmethyl)phenanthridin-5-ium-3,8-diamine bromide

Systemtic Name: 5-methyl-6-(phenylmethyl)phenanthridin-5-ium-3,8-diamine bromide Openeye Name: 6-benzyl-5-methyl-phenanthridin-5-ium-3,8-diamine bromide CAS Name: 5-methyl-6-(phenylmethyl)phenanthridin-5-ium-3,8-diamine bromide IUPAC Name: 6-benzyl-5-methylphenanthridin-5-ium-3,8-diamine bromide Traditional Name: (3-amino-6-benzyl-5-methyl-phenanthridin-5-ium-8-yl)amine bromide Formula: C21H20BrN3 MolecularWeight: 394.3076

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1CC4=CC=CC=C4)N)N.[Br-]

Isomeric SMILES

C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1CC4=CC=CC=C4)N)N.[Br-]

InChI

InChI=1S/C21H19N3.BrH/c1-24-20(11-14-5-3-2-4-6-14)19-12-15(22)7-9-17(19)18-10-8-16(23)13-21(18)24;/h2-10,12-13,23H,11,22H2,1H3;1H