5-ethyl-6-undecyl-phenanthridin-5-ium-3,8-diamine bromide

Systemtic Name: 5-ethyl-6-undecyl-phenanthridin-5-ium-3,8-diamine bromide Openeye Name: 5-ethyl-6-undecyl-phenanthridin-5-ium-3,8-diamine bromide CAS Name: 5-ethyl-6-undecylphenanthridin-5-ium-3,8-diamine bromide IUPAC Name: 5-ethyl-6-undecylphenanthridin-5-ium-3,8-diamine bromide Traditional Name: (3-amino-5-ethyl-6-undecyl-phenanthridin-5-ium-8-yl)amine bromide Formula: C26H38BrN3 MolecularWeight: 472.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C2C=C(C=CC2=C3C=CC(=CC3=[N+]1CC)N)N.[Br-]

Isomeric SMILES

CCCCCCCCCCCC1=C2C=C(C=CC2=C3C=CC(=CC3=[N+]1CC)N)N.[Br-]

InChI

InChI=1S/C26H37N3.BrH/c1-3-5-6-7-8-9-10-11-12-13-25-24-18-20(27)14-16-22(24)23-17-15-21(28)19-26(23)29(25)4-2;/h14-19,28H,3-13,27H2,1-2H3;1H