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

Systemtic Name: 4-chloranyl-2-[1-[(3-propyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl]phenolate Openeye Name: 4-chloro-2-[1-[(3-propyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl]phenolate CAS Name: 4-chloro-2-[1-[(3-propyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl]phenolate IUPAC Name: 4-chloro-2-[1-[(3-propyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl]phenolate Traditional Name: 4-chloro-2-[1-[(3-propyl-1H-benzimidazol-3-ium-2-yl)amino]ethyl]phenolate Formula: C18H20ClN3O MolecularWeight: 329.8239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O/c1-3-10-22-16-7-5-4-6-15(16)21-18(22)20-12(2)14-11-13(19)8-9-17(14)23/h4-9,11-12H,3,10H2,1-2H3,(H2,20,21,23)