2,4-bis(bromanyl)-6-[[(3-hexadecyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate

Systemtic Name: 2,4-bis(bromanyl)-6-[[(3-hexadecyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 2,4-dibromo-6-[[(3-hexadecyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate CAS Name: 2,4-dibromo-6-[[(3-hexadecyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 2,4-dibromo-6-[[(3-hexadecyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 2,4-dibromo-6-[[(3-cetyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Formula: C30H43Br2N3O MolecularWeight: 621.48992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=C(NC2=CC=CC=C21)NCC3=CC(=CC(=C3[O-])Br)Br

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=C(NC2=CC=CC=C21)NCC3=CC(=CC(=C3[O-])Br)Br

InChI

InChI=1S/C30H43Br2N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-35-28-19-16-15-18-27(28)34-30(35)33-23-24-21-25(31)22-26(32)29(24)36/h15-16,18-19,21-22H,2-14,17,20,23H2,1H3,(H2,33,34,36)