(5-fluoranyl-2-methoxy-phenyl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-fluoranyl-2-methoxy-phenyl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-fluoro-2-methoxy-phenyl)-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-fluoro-2-methoxyphenyl)-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-fluoro-2-methoxyphenyl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-fluoro-2-methoxy-phenyl)-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C22H28FN2O2+ MolecularWeight: 371.468323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN2O2/c1-16(2)18-6-4-17(5-7-18)15-24-10-12-25(13-11-24)22(26)20-14-19(23)8-9-21(20)27-3/h4-9,14,16H,10-13,15H2,1-3H3/p+1