N-(2-naphthalen-1-ylethyl)-2-[(2S)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2-naphthalen-1-ylethyl)-2-[(2S)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[2-(1-naphthyl)ethyl]-2-[(2S)-3-oxo-1-(2-thienylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[2-(1-naphthalenyl)ethyl]-2-[(2S)-3-oxo-1-(thiophen-2-ylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-naphthalen-1-ylethyl)-2-[(2S)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2S)-3-keto-1-(2-thenyl)piperazin-1-ium-2-yl]-N-[2-(1-naphthyl)ethyl]acetamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCC2=CC=CC3=CC=CC=C32)CC4=CC=CS4

Isomeric SMILES

C1C[NH+]([C@H](C(=O)N1)CC(=O)NCCC2=CC=CC3=CC=CC=C32)CC4=CC=CS4

InChI

InChI=1S/C23H25N3O2S/c27-22(24-11-10-18-7-3-6-17-5-1-2-9-20(17)18)15-21-23(28)25-12-13-26(21)16-19-8-4-14-29-19/h1-9,14,21H,10-13,15-16H2,(H,24,27)(H,25,28)/p+1/t21-/m0/s1