6-butyl-5-methyl-phenanthridin-5-ium-3,8-diamine bromide

Systemtic Name: 6-butyl-5-methyl-phenanthridin-5-ium-3,8-diamine bromide Openeye Name: 6-butyl-5-methyl-phenanthridin-5-ium-3,8-diamine bromide CAS Name: 6-butyl-5-methylphenanthridin-5-ium-3,8-diamine bromide IUPAC Name: 6-butyl-5-methylphenanthridin-5-ium-3,8-diamine bromide Traditional Name: (3-amino-6-butyl-5-methyl-phenanthridin-5-ium-8-yl)amine bromide Formula: C18H22BrN3 MolecularWeight: 360.29138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=C(C=CC2=C3C=CC(=CC3=[N+]1C)N)N.[Br-]

Isomeric SMILES

CCCCC1=C2C=C(C=CC2=C3C=CC(=CC3=[N+]1C)N)N.[Br-]

InChI

InChI=1S/C18H21N3.BrH/c1-3-4-5-17-16-10-12(19)6-8-14(16)15-9-7-13(20)11-18(15)21(17)2;/h6-11,20H,3-5,19H2,1-2H3;1H