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

Systemtic Name: ethyl 2-[2-azanyl-3-(2,4-dichlorophenyl)benzimidazol-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[2-amino-3-(2,4-dichlorophenyl)benzimidazol-1-ium-1-yl]acetate CAS Name: 2-[2-amino-3-(2,4-dichlorophenyl)-1-benzimidazol-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-3-(2,4-dichlorophenyl)benzimidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-amino-3-(2,4-dichlorophenyl)benzimidazol-1-ium-1-yl]acetic acid ethyl ester Formula: C17H16Cl2N3O2+ MolecularWeight: 365.23384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15Cl2N3O2/c1-2-24-16(23)10-21-14-5-3-4-6-15(14)22(17(21)20)13-8-7-11(18)9-12(13)19/h3-9,20H,2,10H2,1H3/p+1