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

Systemtic Name: ethyl 2-[2-azanyl-3-[(3,4-dichlorophenyl)methyl]benzimidazol-3-ium-1-yl]ethanoate Openeye Name: ethyl 2-[2-amino-3-[(3,4-dichlorophenyl)methyl]benzimidazol-3-ium-1-yl]acetate CAS Name: 2-[2-amino-3-[(3,4-dichlorophenyl)methyl]-1-benzimidazol-3-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-3-[(3,4-dichlorophenyl)methyl]benzimidazol-3-ium-1-yl]acetate Traditional Name: 2-[2-amino-3-(3,4-dichlorobenzyl)benzimidazol-3-ium-1-yl]acetic acid ethyl ester Formula: C18H18Cl2N3O2+ MolecularWeight: 379.26042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H17Cl2N3O2/c1-2-25-17(24)11-23-16-6-4-3-5-15(16)22(18(23)21)10-12-7-8-13(19)14(20)9-12/h3-9,21H,2,10-11H2,1H3/p+1