1-(4-fluorophenyl)-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-fluorophenyl)-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-fluorophenyl)-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperazin-4-ium CAS Name: 1-(4-fluorophenyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-fluorophenyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethyl-benzyl)piperazin-4-ium Formula: C20H26FN2O+ MolecularWeight: 329.431643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C)OC

InChI

InChI=1S/C20H25FN2O/c1-15-13-20(24-3)16(2)12-17(15)14-22-8-10-23(11-9-22)19-6-4-18(21)5-7-19/h4-7,12-13H,8-11,14H2,1-3H3/p+1