1-[4-(piperidin-1-ium-4-ylmethyl)piperazin-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-(piperidin-1-ium-4-ylmethyl)piperazin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(piperidin-1-ium-4-ylmethyl)piperazin-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-(4-piperidin-1-iumylmethyl)-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-(piperidin-1-ium-4-ylmethyl)piperazin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(piperidin-1-ium-4-ylmethyl)piperazino]-2-(2-thienyl)ethanone Formula: C16H26N3OS+ MolecularWeight: 308.46214

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1CN2CCN(CC2)C(=O)CC3=CC=CS3

Isomeric SMILES

C1C[NH2+]CCC1CN2CCN(CC2)C(=O)CC3=CC=CS3

InChI

InChI=1S/C16H25N3OS/c20-16(12-15-2-1-11-21-15)19-9-7-18(8-10-19)13-14-3-5-17-6-4-14/h1-2,11,14,17H,3-10,12-13H2/p+1