N-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]-4-phenoxy-benzamide

Systemtic Name: N-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]-4-phenoxy-benzamide Openeye Name: N-[2-oxo-2-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethyl]-4-phenoxy-benzamide CAS Name: N-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethyl]-4-phenoxybenzamide IUPAC Name: N-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]-4-phenoxybenzamide Traditional Name: N-[2-keto-2-[4-(2-thenyl)piperazin-4-ium-1-yl]ethyl]-4-phenoxy-benzamide Formula: C24H26N3O3S+ MolecularWeight: 436.54654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3S/c28-23(27-14-12-26(13-15-27)18-22-7-4-16-31-22)17-25-24(29)19-8-10-21(11-9-19)30-20-5-2-1-3-6-20/h1-11,16H,12-15,17-18H2,(H,25,29)/p+1