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

Systemtic Name: 5-ethyl-6-heptyl-phenanthridin-5-ium-3,8-diamine bromide Openeye Name: 5-ethyl-6-heptyl-phenanthridin-5-ium-3,8-diamine bromide CAS Name: 5-ethyl-6-heptylphenanthridin-5-ium-3,8-diamine bromide IUPAC Name: 5-ethyl-6-heptylphenanthridin-5-ium-3,8-diamine bromide Traditional Name: (3-amino-5-ethyl-6-heptyl-phenanthridin-5-ium-8-yl)amine bromide Formula: C22H30BrN3 MolecularWeight: 416.3977

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C2C=C(C=CC2=C3C=CC(=CC3=[N+]1CC)N)N.[Br-]

Isomeric SMILES

CCCCCCCC1=C2C=C(C=CC2=C3C=CC(=CC3=[N+]1CC)N)N.[Br-]

InChI

InChI=1S/C22H29N3.BrH/c1-3-5-6-7-8-9-21-20-14-16(23)10-12-18(20)19-13-11-17(24)15-22(19)25(21)4-2;/h10-15,24H,3-9,23H2,1-2H3;1H