N-(4-fluorophenyl)-2-[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-(4-fluorophenyl)-2-[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-(4-fluorophenyl)-2-[[2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]acetyl]amino]benzamide CAS Name: N-(4-fluorophenyl)-2-[[1-oxo-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]ethyl]amino]benzamide IUPAC Name: N-(4-fluorophenyl)-2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-(4-fluorophenyl)-2-[[2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]acetyl]amino]benzamide Formula: C25H31FN5O3+ MolecularWeight: 468.543743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C25H30FN5O3/c26-19-7-9-20(10-8-19)27-25(34)21-5-1-2-6-22(21)28-23(32)17-29-13-15-30(16-14-29)18-24(33)31-11-3-4-12-31/h1-2,5-10H,3-4,11-18H2,(H,27,34)(H,28,32)/p+1