(2S)-2-(azepan-1-ium-1-yl)-1-piperazin-1-yl-2-thiophen-2-yl-ethanone

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-1-piperazin-1-yl-2-thiophen-2-yl-ethanone Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-1-piperazin-1-yl-2-(2-thienyl)ethanone CAS Name: (2S)-2-(1-azepan-1-iumyl)-1-(1-piperazinyl)-2-thiophen-2-ylethanone IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-1-piperazin-1-yl-2-thiophen-2-ylethanone Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-1-piperazino-2-(2-thienyl)ethanone Formula: C16H26N3OS+ MolecularWeight: 308.46214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C2=CC=CS2)C(=O)N3CCNCC3

Isomeric SMILES

C1CCC[NH+](CC1)[C@H](C2=CC=CS2)C(=O)N3CCNCC3

InChI

InChI=1S/C16H25N3OS/c20-16(19-11-7-17-8-12-19)15(14-6-5-13-21-14)18-9-3-1-2-4-10-18/h5-6,13,15,17H,1-4,7-12H2/p+1/t15-/m1/s1