2-[4-(3-ethoxy-4-methoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(3-ethoxy-4-methoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(3-ethoxy-4-methoxy-benzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(3-ethoxy-4-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(3-ethoxy-4-methoxy-benzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C22H27FN3O4+ MolecularWeight: 416.465883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)OC

InChI

InChI=1S/C22H26FN3O4/c1-3-30-20-13-16(7-8-19(20)29-2)22(28)26-11-9-25(10-12-26)15-21(27)24-18-6-4-5-17(23)14-18/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,24,27)/p+1