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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCNC(=O)C3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCNC(=O)C3=CC=CC=C3)F

InChI

InChI=1S/C22H26FN3O3/c1-29-20-8-7-17(15-19(20)23)16-25-11-13-26(14-12-25)21(27)9-10-24-22(28)18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3,(H,24,28)/p+1