N-(2-phenoxyphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2OC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2OC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C23H25N3O2S/c27-23(18-26-14-12-25(13-15-26)17-20-9-6-16-29-20)24-21-10-4-5-11-22(21)28-19-7-2-1-3-8-19/h1-11,16H,12-15,17-18H2,(H,24,27)/p+1