(3-chloranyl-4-oxidanyl-phenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-chloranyl-4-oxidanyl-phenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-chloro-4-hydroxy-phenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-chloro-4-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-chloro-4-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-chloro-4-hydroxy-phenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone Formula: C20H24ClN2O4+ MolecularWeight: 391.86856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)O)Cl

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)O)Cl

InChI

InChI=1S/C20H23ClN2O4/c1-26-16-3-5-17(6-4-16)27-13-12-22-8-10-23(11-9-22)20(25)15-2-7-19(24)18(21)14-15/h2-7,14,24H,8-13H2,1H3/p+1