1-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-(3-methylimidazol-3-ium-1-yl)ethanone chloride

Systemtic Name: 1-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-(3-methylimidazol-3-ium-1-yl)ethanone chloride Openeye Name: 1-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-(3-methylimidazol-3-ium-1-yl)ethanone chloride CAS Name: 1-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-(3-methyl-1-imidazol-3-iumyl)ethanone chloride IUPAC Name: 1-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-(3-methylimidazol-3-ium-1-yl)ethanone chloride Traditional Name: 1-[4-(4-aminophenyl)-1,4-diazepan-1-yl]-2-(3-methylimidazol-3-ium-1-yl)ethanone chloride Formula: C17H24ClN5O MolecularWeight: 349.85836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC(=O)N2CCCN(CC2)C3=CC=C(C=C3)N.[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)CC(=O)N2CCCN(CC2)C3=CC=C(C=C3)N.[Cl-]

InChI

InChI=1S/C17H24N5O.ClH/c1-19-9-10-20(14-19)13-17(23)22-8-2-7-21(11-12-22)16-5-3-15(18)4-6-16;/h3-6,9-10,14H,2,7-8,11-13,18H2,1H3;1H/q+1;/p-1