2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-1-iumyl]-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-ium-1-yl]-N-[2-(phenylthio)phenyl]acetamide Formula: C27H32N3O3S+ MolecularWeight: 478.62628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCN2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)OCCN2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3S/c1-32-22-11-13-23(14-12-22)33-20-19-29-15-17-30(18-16-29)21-27(31)28-25-9-5-6-10-26(25)34-24-7-3-2-4-8-24/h2-14H,15-21H2,1H3,(H,28,31)/p+1