1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-(4-methoxyphenyl)propan-1-one

Systemtic Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-(4-methoxyphenyl)propan-1-one Openeye Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-(4-methoxyphenyl)propan-1-one CAS Name: 1-[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]-3-(4-methoxyphenyl)-1-propanone IUPAC Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-(4-methoxyphenyl)propan-1-one Traditional Name: 1-[4-(3-fluorobenzyl)piperazin-4-ium-1-yl]-3-(4-methoxyphenyl)propan-1-one Formula: C21H26FN2O2+ MolecularWeight: 357.441743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H25FN2O2/c1-26-20-8-5-17(6-9-20)7-10-21(25)24-13-11-23(12-14-24)16-18-3-2-4-19(22)15-18/h2-6,8-9,15H,7,10-14,16H2,1H3/p+1