methyl 2-[2-azanyl-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]ethanoate bromide

Systemtic Name: methyl 2-[2-azanyl-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]ethanoate bromide Openeye Name: methyl 2-[2-amino-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]acetate bromide CAS Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]-1-benzimidazol-3-iumyl]acetic acid methyl ester bromide IUPAC Name: methyl 2-[2-amino-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]acetate bromide Traditional Name: 2-[2-amino-3-(4-chlorobenzyl)benzimidazol-3-ium-1-yl]acetic acid methyl ester bromide Formula: C17H17BrClN3O2 MolecularWeight: 410.69278

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

COC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C17H16ClN3O2.BrH/c1-23-16(22)11-21-15-5-3-2-4-14(15)20(17(21)19)10-12-6-8-13(18)9-7-12;/h2-9,19H,10-11H2,1H3;1H