N-[2-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[2-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide Openeye Name: N-[2-[4-[2-(4-fluoroanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-3,4-dimethyl-benzamide CAS Name: N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-3,4-dimethylbenzamide IUPAC Name: N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide Traditional Name: N-[2-[4-[2-(4-fluoroanilino)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-3,4-dimethyl-benzamide Formula: C23H28FN4O3+ MolecularWeight: 427.491823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)C

InChI

InChI=1S/C23H27FN4O3/c1-16-3-4-18(13-17(16)2)23(31)25-14-22(30)28-11-9-27(10-12-28)15-21(29)26-20-7-5-19(24)6-8-20/h3-8,13H,9-12,14-15H2,1-2H3,(H,25,31)(H,26,29)/p+1