1-(4-fluorophenyl)-4-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperazin-4-ium

Systemtic Name: 1-(4-fluorophenyl)-4-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperazin-4-ium Openeye Name: 1-(4-fluorophenyl)-4-[(1R)-3-(4-methoxyphenyl)-1-methyl-propyl]piperazin-4-ium CAS Name: 1-(4-fluorophenyl)-4-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperazin-4-ium IUPAC Name: 1-(4-fluorophenyl)-4-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperazin-4-ium Traditional Name: 1-(4-fluorophenyl)-4-[(1R)-3-(4-methoxyphenyl)-1-methyl-propyl]piperazin-4-ium Formula: C21H28FN2O+ MolecularWeight: 343.458223

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@H](CCC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H27FN2O/c1-17(3-4-18-5-11-21(25-2)12-6-18)23-13-15-24(16-14-23)20-9-7-19(22)8-10-20/h5-12,17H,3-4,13-16H2,1-2H3/p+1/t17-/m1/s1