N-[(2,4-dichlorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2,4-dichlorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(2,4-dichlorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2,4-dichlorophenyl)methyl]-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2,4-dichlorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,4-dichlorobenzyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H24Cl2N3O2+ MolecularWeight: 409.32946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H23Cl2N3O2/c1-27-18-6-4-17(5-7-18)25-10-8-24(9-11-25)14-20(26)23-13-15-2-3-16(21)12-19(15)22/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)/p+1