3-[2-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)ethanoylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[2-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)ethanoylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[2-(3-ethyl-2-oxo-benzimidazol-1-yl)acetyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[2-(3-ethyl-2-oxo-1-benzimidazolyl)-1-oxoethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[2-(3-ethyl-2-keto-benzimidazol-1-yl)acetyl]amino]propyl]-methyl-ammonium Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=O)CC(=O)NCCC[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=O)CC(=O)NCCC[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2/c1-3-25-19-12-7-8-13-20(19)26(22(25)28)17-21(27)23-14-9-15-24(2)16-18-10-5-4-6-11-18/h4-8,10-13H,3,9,14-17H2,1-2H3,(H,23,27)/p+1