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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)F)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)F)OC)OC

InChI

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