2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(2-phenylphenoxy)-1-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(2-phenylphenoxy)-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(2-phenylphenoxy)-1-[4-(3-thenyl)piperazin-4-ium-1-yl]ethanone Formula: C23H25N2O2S+ MolecularWeight: 393.5218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)COC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)COC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O2S/c26-23(25-13-11-24(12-14-25)16-19-10-15-28-18-19)17-27-22-9-5-4-8-21(22)20-6-2-1-3-7-20/h1-10,15,18H,11-14,16-17H2/p+1