N-[2-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]cyclohexanecarboxamide

Systemtic Name: N-[2-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]cyclohexanecarboxamide Openeye Name: N-[2-[4-[2-(4-fluoroanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]cyclohexanecarboxamide CAS Name: N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]cyclohexanecarboxamide IUPAC Name: N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]cyclohexanecarboxamide Traditional Name: N-[2-[4-[2-(4-fluoroanilino)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]cyclohexanecarboxamide Formula: C21H30FN4O3+ MolecularWeight: 405.486303

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(CC1)C(=O)NCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H29FN4O3/c22-17-6-8-18(9-7-17)24-19(27)15-25-10-12-26(13-11-25)20(28)14-23-21(29)16-4-2-1-3-5-16/h6-9,16H,1-5,10-15H2,(H,23,29)(H,24,27)/p+1