4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-[(1S)-1-phenylethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-[(1S)-1-phenylethyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(4-fluoroanilino)-2-oxo-ethyl]-N-[(1S)-1-phenylethyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-[(1S)-1-phenylethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-[(1S)-1-phenylethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(4-fluoroanilino)-2-keto-ethyl]-N-[(1S)-1-phenylethyl]piperazin-4-ium-1-carboxamide Formula: C21H26FN4O2+ MolecularWeight: 385.455143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN4O2/c1-16(17-5-3-2-4-6-17)23-21(28)26-13-11-25(12-14-26)15-20(27)24-19-9-7-18(22)8-10-19/h2-10,16H,11-15H2,1H3,(H,23,28)(H,24,27)/p+1/t16-/m0/s1