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

Systemtic Name: 4-[2-[4-(4-fluorophenyl)carbonylpiperazin-1-ium-1-yl]ethanoylamino]-N,N-dimethyl-benzamide Openeye Name: 4-[[2-[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]acetyl]amino]-N,N-dimethyl-benzamide CAS Name: 4-[[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N,N-dimethylbenzamide IUPAC Name: 4-[[2-[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]acetyl]amino]-N,N-dimethylbenzamide Traditional Name: 4-[[2-[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]acetyl]amino]-N,N-dimethyl-benzamide Formula: C22H26FN4O3+ MolecularWeight: 413.465243

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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)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4O3/c1-25(2)21(29)16-5-9-19(10-6-16)24-20(28)15-26-11-13-27(14-12-26)22(30)17-3-7-18(23)8-4-17/h3-10H,11-15H2,1-2H3,(H,24,28)/p+1