(2S)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-thiophen-2-yl-ethanone

Systemtic Name: (2S)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-thiophen-2-yl-ethanone Openeye Name: (2S)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-(2-thienyl)ethanone CAS Name: (2S)-2-[(2S)-2-ethyl-1-piperidin-1-iumyl]-1-(1-piperazinyl)-2-thiophen-2-ylethanone IUPAC Name: (2S)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-thiophen-2-ylethanone Traditional Name: (2S)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-piperazino-2-(2-thienyl)ethanone Formula: C17H28N3OS+ MolecularWeight: 322.48872

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1C(C2=CC=CS2)C(=O)N3CCNCC3

Isomeric SMILES

CC[C@H]1CCCC[NH+]1[C@H](C2=CC=CS2)C(=O)N3CCNCC3

InChI

InChI=1S/C17H27N3OS/c1-2-14-6-3-4-10-20(14)16(15-7-5-13-22-15)17(21)19-11-8-18-9-12-19/h5,7,13-14,16,18H,2-4,6,8-12H2,1H3/p+1/t14-,16+/m0/s1