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ethyl 2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]propanoate bromide

ethyl 2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]propanoate bromide

Systemtic Name:ethyl 2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]propanoate bromide
Openeye Name:ethyl 2-(3-benzylbenzimidazol-3-ium-1-yl)propanoate bromide
CAS Name:2-[3-(phenylmethyl)-1-benzimidazol-3-iumyl]propanoic acid ethyl ester bromide
IUPAC Name:ethyl 2-(3-benzylbenzimidazol-3-ium-1-yl)propanoate bromide
Traditional Name:2-(3-benzylbenzimidazol-3-ium-1-yl)propionic acid ethyl ester bromide
Formula: C19H21BrN2O2
MolecularWeight: 389.28624
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3.[Br-]


Isomeric SMILES

CCOC(=O)C(C)N1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3.[Br-]


InChI

InChI=1S/C19H21N2O2.BrH/c1-3-23-19(22)15(2)21-14-20(13-16-9-5-4-6-10-16)17-11-7-8-12-18(17)21;/h4-12,14-15H,3,13H2,1-2H3;1H/q+1;/p-1


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