ethyl 2-[2-azanyl-3-[2-(4-bromanylphenoxy)ethyl]benzimidazol-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-azanyl-3-[2-(4-bromanylphenoxy)ethyl]benzimidazol-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[2-amino-3-[2-(4-bromophenoxy)ethyl]benzimidazol-1-ium-1-yl]acetate CAS Name: 2-[2-amino-3-[2-(4-bromophenoxy)ethyl]-1-benzimidazol-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-3-[2-(4-bromophenoxy)ethyl]benzimidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-amino-3-[2-(4-bromophenoxy)ethyl]benzimidazol-1-ium-1-yl]acetic acid ethyl ester Formula: C19H21BrN3O3+ MolecularWeight: 419.29234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=C(C=C3)Br)N

Isomeric SMILES

CCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C19H20BrN3O3/c1-2-25-18(24)13-23-17-6-4-3-5-16(17)22(19(23)21)11-12-26-15-9-7-14(20)8-10-15/h3-10,21H,2,11-13H2,1H3/p+1