1-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]propan-2-one

Systemtic Name: 1-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]propan-2-one Openeye Name: 1-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)propan-2-one CAS Name: 1-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-2-propanone IUPAC Name: 1-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)propan-2-one Traditional Name: 1-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)acetone Formula: C17H18N3O+ MolecularWeight: 280.34432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3

InChI

InChI=1S/C17H17N3O/c1-13(21)11-19-15-9-5-6-10-16(15)20(17(19)18)12-14-7-3-2-4-8-14/h2-10,18H,11-12H2,1H3/p+1