N-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-methyl-benzamide

Systemtic Name: N-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-methyl-benzamide Openeye Name: N-[2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-2-methyl-benzamide CAS Name: N-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-methylbenzamide IUPAC Name: N-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-2-methylbenzamide Traditional Name: N-[2-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-2-methyl-benzamide Formula: C22H27FN3O3+ MolecularWeight: 400.466483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C22H26FN3O3/c1-16-5-3-4-6-18(16)22(28)24-14-21(27)26-11-9-25(10-12-26)15-17-7-8-20(29-2)19(23)13-17/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,28)/p+1