[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-ethoxy-3-methoxy-phenyl)methanone

Systemtic Name: [4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-ethoxy-3-methoxy-phenyl)methanone Openeye Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(4-ethoxy-3-methoxy-phenyl)methanone CAS Name: [4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-(4-ethoxy-3-methoxyphenyl)methanone IUPAC Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone Traditional Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(4-ethoxy-3-methoxy-phenyl)methanone Formula: C22H28ClN2O4+ MolecularWeight: 419.92172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C22H27ClN2O4/c1-3-28-20-9-4-17(16-21(20)27-2)22(26)25-12-10-24(11-13-25)14-15-29-19-7-5-18(23)6-8-19/h4-9,16H,3,10-15H2,1-2H3/p+1