N-(4-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(4-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(4-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-fluorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(4-fluorophenyl)-4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-carboxamide Formula: C21H27FN3O4+ MolecularWeight: 404.455183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC3=CC=C(C=C3)F)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC3=CC=C(C=C3)F)OC)OC

InChI

InChI=1S/C21H26FN3O4/c1-27-18-9-4-15(19(28-2)20(18)29-3)14-24-10-12-25(13-11-24)21(26)23-17-7-5-16(22)6-8-17/h4-9H,10-14H2,1-3H3,(H,23,26)/p+1