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

Systemtic Name: 4-chloranyl-2-[[(3-propyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 4-chloro-2-[[(3-propyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate CAS Name: 4-chloro-2-[[(3-propyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 4-chloro-2-[[(3-propyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 4-chloro-2-[[(3-propyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Formula: C17H18ClN3O MolecularWeight: 315.79732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O/c1-2-9-21-15-6-4-3-5-14(15)20-17(21)19-11-12-10-13(18)7-8-16(12)22/h3-8,10H,2,9,11H2,1H3,(H2,19,20,22)