3-chloranyl-N-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]ethyl]benzothiophene-2-carboxamide Formula: C24H27ClN3O4S+ MolecularWeight: 489.00688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C24H26ClN3O4S/c1-31-17-6-8-18(9-7-17)32-15-14-27-10-12-28(13-11-27)21(29)16-26-24(30)23-22(25)19-4-2-3-5-20(19)33-23/h2-9H,10-16H2,1H3,(H,26,30)/p+1