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

Systemtic Name: ethyl (2S)-2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]propanoate Openeye Name: ethyl (2S)-2-(3-benzylbenzimidazol-3-ium-1-yl)propanoate CAS Name: (2S)-2-[3-(phenylmethyl)-1-benzimidazol-3-iumyl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(3-benzylbenzimidazol-3-ium-1-yl)propanoate Traditional Name: (2S)-2-(3-benzylbenzimidazol-3-ium-1-yl)propionic acid ethyl ester Formula: C19H21N2O2+ MolecularWeight: 309.38224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H](C)N1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N2O2/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/q+1/t15-/m0/s1