N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanamide chloride

Systemtic Name: N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanamide chloride Openeye Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-[(1S)-1-(hydroxymethyl)-3-methyl-butyl]acetamide chloride CAS Name: N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[3-(phenylmethyl)-1-benzimidazol-3-iumyl]acetamide chloride IUPAC Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide chloride Traditional Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-[(1S)-3-methyl-1-methylol-butyl]acetamide chloride Formula: C22H28ClN3O2 MolecularWeight: 401.92962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CO)NC(=O)CN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(C)C[C@@H](CO)NC(=O)CN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H27N3O2.ClH/c1-17(2)12-19(15-26)23-22(27)14-25-16-24(13-18-8-4-3-5-9-18)20-10-6-7-11-21(20)25;/h3-11,16-17,19,26H,12-15H2,1-2H3;1H/t19-;/m0./s1