1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-(2-methoxyphenoxy)ethanone

Systemtic Name: 1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-(2-methoxyphenoxy)ethanone Openeye Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-(2-methoxyphenoxy)ethanone CAS Name: 1-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-2-(2-methoxyphenoxy)ethanone IUPAC Name: 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-(2-methoxyphenoxy)ethanone Traditional Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-(2-methoxyphenoxy)ethanone Formula: C18H22ClN2O3S+ MolecularWeight: 381.89688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

COC1=CC=CC=C1OCC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C18H21ClN2O3S/c1-23-15-4-2-3-5-16(15)24-13-18(22)21-10-8-20(9-11-21)12-14-6-7-17(19)25-14/h2-7H,8-13H2,1H3/p+1