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

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-(4-fluorobenzyl)piperazin-4-ium-1-carboxamide Formula: C20H25FN3O3+ MolecularWeight: 374.429203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C20H24FN3O3/c1-26-18-8-7-17(13-19(18)27-2)22-20(25)24-11-9-23(10-12-24)14-15-3-5-16(21)6-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)/p+1