(3-fluorophenyl)-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-fluorophenyl)-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-fluorophenyl)-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-fluorophenyl)-[4-[(2,4,5-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-fluorophenyl)-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-fluorophenyl)-[4-(2,4,5-trimethoxybenzyl)piperazin-4-ium-1-yl]methanone Formula: C21H26FN2O4+ MolecularWeight: 389.440543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)F)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)F)OC)OC

InChI

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