4-[2-(4-chloranylphenoxy)ethyl]-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-(4-chloranylphenoxy)ethyl]-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-(4-chlorophenoxy)ethyl]-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-(4-chlorophenoxy)ethyl]-N-(3-methoxyphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-(4-chlorophenoxy)ethyl]-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-(4-chlorophenoxy)ethyl]-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide Formula: C20H25ClN3O2S+ MolecularWeight: 406.9494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3O2S/c1-25-19-4-2-3-17(15-19)22-20(27)24-11-9-23(10-12-24)13-14-26-18-7-5-16(21)6-8-18/h2-8,15H,9-14H2,1H3,(H,22,27)/p+1