N-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-phenoxyphenyl)-2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-phenoxyphenyl)-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-phenoxyphenyl)-2-[4-(3-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=CSC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2OC3=CC=CC=C3)CC4=CSC=C4

InChI

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