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

Systemtic Name: 2,4-bis(chloranyl)-6-[[(3-propyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 2,4-dichloro-6-[[(3-propyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate CAS Name: 2,4-dichloro-6-[[(3-propyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 2,4-dichloro-6-[[(3-propyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 2,4-dichloro-6-[[(3-propyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Formula: C17H17Cl2N3O MolecularWeight: 350.24238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17Cl2N3O/c1-2-7-22-15-6-4-3-5-14(15)21-17(22)20-10-11-8-12(18)9-13(19)16(11)23/h3-6,8-9H,2,7,10H2,1H3,(H2,20,21,23)