1-benzothiophen-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 1-benzothiophen-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone Openeye Name: benzothiophen-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: 1-benzothiophen-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1-benzothiophen-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone Traditional Name: benzothiophen-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone Formula: C22H25N2O3S+ MolecularWeight: 397.5105

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N2O3S/c1-26-18-6-8-19(9-7-18)27-15-14-23-10-12-24(13-11-23)22(25)21-16-17-4-2-3-5-20(17)28-21/h2-9,16H,10-15H2,1H3/p+1