ethyl 2-[2-azanyl-3-[2-(2-methylphenoxy)ethyl]benzimidazol-1-ium-1-yl]ethanoate chloride

Systemtic Name: ethyl 2-[2-azanyl-3-[2-(2-methylphenoxy)ethyl]benzimidazol-1-ium-1-yl]ethanoate chloride Openeye Name: ethyl 2-[2-amino-3-[2-(2-methylphenoxy)ethyl]benzimidazol-1-ium-1-yl]acetate chloride CAS Name: 2-[2-amino-3-[2-(2-methylphenoxy)ethyl]-1-benzimidazol-1-iumyl]acetic acid ethyl ester chloride IUPAC Name: ethyl 2-[2-amino-3-[2-(2-methylphenoxy)ethyl]benzimidazol-1-ium-1-yl]acetate chloride Traditional Name: 2-[2-amino-3-[2-(2-methylphenoxy)ethyl]benzimidazol-1-ium-1-yl]acetic acid ethyl ester chloride Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=CC=C3C)N.[Cl-]

Isomeric SMILES

CCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=CC=C3C)N.[Cl-]

InChI

InChI=1S/C20H23N3O3.ClH/c1-3-25-19(24)14-23-17-10-6-5-9-16(17)22(20(23)21)12-13-26-18-11-7-4-8-15(18)2;/h4-11,21H,3,12-14H2,1-2H3;1H