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

Systemtic Name: 2-(4-phenylazanylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-anilinophenoxy)-1-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-anilinophenoxy)-1-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-anilinophenoxy)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-anilinophenoxy)-1-[4-(2-thenyl)piperazin-4-ium-1-yl]ethanone Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)COC3=CC=C(C=C3)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)COC3=CC=C(C=C3)NC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c27-23(26-14-12-25(13-15-26)17-22-7-4-16-29-22)18-28-21-10-8-20(9-11-21)24-19-5-2-1-3-6-19/h1-11,16,24H,12-15,17-18H2/p+1