2-[4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-methoxy-phenoxy]ethanamide

Systemtic Name: 2-[4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-methoxy-phenoxy]ethanamide Openeye Name: 2-[4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methoxy-phenoxy]acetamide CAS Name: 2-[4-[[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-methoxyphenoxy]acetamide IUPAC Name: 2-[4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methoxyphenoxy]acetamide Traditional Name: 2-[4-[4-(3-chlorobenzyl)piperazin-4-ium-1-carbonyl]-2-methoxy-phenoxy]acetamide Formula: C21H25ClN3O4+ MolecularWeight: 418.8939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)OCC(=O)N

InChI

InChI=1S/C21H24ClN3O4/c1-28-19-12-16(5-6-18(19)29-14-20(23)26)21(27)25-9-7-24(8-10-25)13-15-3-2-4-17(22)11-15/h2-6,11-12H,7-10,13-14H2,1H3,(H2,23,26)/p+1