methyl 4-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-carbonyl]benzoate CAS Name: 4-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-carbonyl]benzoate Traditional Name: 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-carbonyl]benzoic acid methyl ester Formula: C21H24ClN2O4+ MolecularWeight: 403.87926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4/c1-27-21(26)17-4-2-16(3-5-17)20(25)24-12-10-23(11-13-24)14-15-28-19-8-6-18(22)7-9-19/h2-9H,10-15H2,1H3/p+1