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

Systemtic Name: (2,5-dimethylphenyl)-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2,5-dimethylphenyl)-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2,5-dimethylphenyl)-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2,5-dimethylphenyl)-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2,5-dimethylphenyl)-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]methanone Formula: C21H26FN2O2+ MolecularWeight: 357.441743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C21H25FN2O2/c1-15-4-5-16(2)19(12-15)21(25)24-10-8-23(9-11-24)14-17-13-18(22)6-7-20(17)26-3/h4-7,12-13H,8-11,14H2,1-3H3/p+1