[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(1-phenylcyclopropyl)methanone

Systemtic Name: [4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(1-phenylcyclopropyl)methanone Openeye Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(1-phenylcyclopropyl)methanone CAS Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(1-phenylcyclopropyl)methanone IUPAC Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(1-phenylcyclopropyl)methanone Traditional Name: [4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(1-phenylcyclopropyl)methanone Formula: C22H26FN2O2+ MolecularWeight: 369.452443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3(CC3)C4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3(CC3)C4=CC=CC=C4)F

InChI

InChI=1S/C22H25FN2O2/c1-27-20-8-7-17(15-19(20)23)16-24-11-13-25(14-12-24)21(26)22(9-10-22)18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3/p+1