1-[4-(4-aminophenyl)piperazin-1-yl]-2-(3-methylimidazol-3-ium-1-yl)ethanone

Systemtic Name: 1-[4-(4-aminophenyl)piperazin-1-yl]-2-(3-methylimidazol-3-ium-1-yl)ethanone Openeye Name: 1-[4-(4-aminophenyl)piperazin-1-yl]-2-(3-methylimidazol-3-ium-1-yl)ethanone CAS Name: 1-[4-(4-aminophenyl)-1-piperazinyl]-2-(3-methyl-1-imidazol-3-iumyl)ethanone IUPAC Name: 1-[4-(4-aminophenyl)piperazin-1-yl]-2-(3-methylimidazol-3-ium-1-yl)ethanone Traditional Name: 1-[4-(4-aminophenyl)piperazino]-2-(3-methylimidazol-3-ium-1-yl)ethanone Formula: C16H22N5O+ MolecularWeight: 300.37878

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)N

Isomeric SMILES

C[N+]1=CN(C=C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)N

InChI

InChI=1S/C16H22N5O/c1-18-6-7-19(13-18)12-16(22)21-10-8-20(9-11-21)15-4-2-14(17)3-5-15/h2-7,13H,8-12,17H2,1H3/q+1