4-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-N,N-dimethyl-benzamide

Systemtic Name: 4-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-N,N-dimethyl-benzamide Openeye Name: 4-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-N,N-dimethyl-benzamide CAS Name: 4-[[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N,N-dimethylbenzamide IUPAC Name: 4-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-N,N-dimethylbenzamide Traditional Name: 4-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-N,N-dimethyl-benzamide Formula: C21H26FN4O2+ MolecularWeight: 385.455143

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN4O2/c1-24(2)21(28)16-3-7-18(8-4-16)23-20(27)15-25-11-13-26(14-12-25)19-9-5-17(22)6-10-19/h3-10H,11-15H2,1-2H3,(H,23,27)/p+1