(4-fluorophenyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-fluorophenyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-fluorophenyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-fluorophenyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-fluorophenyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-fluorophenyl)-[4-(3,4,5-trimethoxybenzyl)piperazin-4-ium-1-yl]methanone Formula: C21H26FN2O4+ MolecularWeight: 389.440543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O4/c1-26-18-12-15(13-19(27-2)20(18)28-3)14-23-8-10-24(11-9-23)21(25)16-4-6-17(22)7-5-16/h4-7,12-13H,8-11,14H2,1-3H3/p+1