6-chloranyl-2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-1-ium-1-carboxamide

Systemtic Name: 6-chloranyl-2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-1-ium-1-carboxamide Openeye Name: 6-chloro-2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-1-ium-1-carboxamide CAS Name: 6-chloro-2-ethyl-1-[4-(2-hydroxyethyl)phenyl]-1-benzimidazol-1-iumcarboxamide IUPAC Name: 6-chloro-2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-1-ium-1-carboxamide Traditional Name: 6-chloro-2-ethyl-1-[4-(2-hydroxyethyl)phenyl]benzimidazol-1-ium-1-carboxamide Formula: C18H19ClN3O2+ MolecularWeight: 344.81536

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C([N+]1(C3=CC=C(C=C3)CCO)C(=O)N)C=C(C=C2)Cl

Isomeric SMILES

CCC1=NC2=C([N+]1(C3=CC=C(C=C3)CCO)C(=O)N)C=C(C=C2)Cl

InChI

InChI=1S/C18H18ClN3O2/c1-2-17-21-15-8-5-13(19)11-16(15)22(17,18(20)24)14-6-3-12(4-7-14)9-10-23/h3-8,11,23H,2,9-10H2,1H3,(H-,20,24)/p+1