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

Systemtic Name: 5-ethyl-6-pentadecyl-phenanthridin-5-ium-3,8-diamine bromide Openeye Name: 5-ethyl-6-pentadecyl-phenanthridin-5-ium-3,8-diamine bromide CAS Name: 5-ethyl-6-pentadecylphenanthridin-5-ium-3,8-diamine bromide IUPAC Name: 5-ethyl-6-pentadecylphenanthridin-5-ium-3,8-diamine bromide Traditional Name: (3-amino-5-ethyl-6-pentadecyl-phenanthridin-5-ium-8-yl)amine bromide Formula: C30H46BrN3 MolecularWeight: 528.61034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C2C=C(C=CC2=C3C=CC(=CC3=[N+]1CC)N)N.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C2C=C(C=CC2=C3C=CC(=CC3=[N+]1CC)N)N.[Br-]

InChI

InChI=1S/C30H45N3.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-29-28-22-24(31)18-20-26(28)27-21-19-25(32)23-30(27)33(29)4-2;/h18-23,32H,3-17,31H2,1-2H3;1H