1-[2-azanyl-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium-1-yl]propan-2-one bromide

Systemtic Name: 1-[2-azanyl-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium-1-yl]propan-2-one bromide Openeye Name: 1-[2-amino-3-[2-(1-piperidyl)ethyl]benzimidazol-1-ium-1-yl]propan-2-one bromide CAS Name: 1-[2-amino-3-[2-(1-piperidinyl)ethyl]-1-benzimidazol-1-iumyl]-2-propanone bromide IUPAC Name: 1-[2-amino-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium-1-yl]propan-2-one bromide Traditional Name: 1-[2-amino-3-(2-piperidinoethyl)benzimidazol-1-ium-1-yl]acetone bromide Formula: C17H25BrN4O MolecularWeight: 381.3106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=C(N(C2=CC=CC=C21)CCN3CCCCC3)N.[Br-]

Isomeric SMILES

CC(=O)C[N+]1=C(N(C2=CC=CC=C21)CCN3CCCCC3)N.[Br-]

InChI

InChI=1S/C17H24N4O.BrH/c1-14(22)13-21-16-8-4-3-7-15(16)20(17(21)18)12-11-19-9-5-2-6-10-19;/h3-4,7-8,18H,2,5-6,9-13H2,1H3;1H