1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)-1-piperidyl]-2-(2-thienyl)ethanone CAS Name: 1-[(3S)-3-(1-pyrrolidin-1-iumylmethyl)-1-piperidinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidino]-2-(2-thienyl)ethanone Formula: C16H25N2OS+ MolecularWeight: 293.4475

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2CCCN(C2)C(=O)CC3=CC=CS3

Isomeric SMILES

C1CC[NH+](C1)C[C@H]2CCCN(C2)C(=O)CC3=CC=CS3

InChI

InChI=1S/C16H24N2OS/c19-16(11-15-6-4-10-20-15)18-9-3-5-14(13-18)12-17-7-1-2-8-17/h4,6,10,14H,1-3,5,7-9,11-13H2/p+1/t14-/m1/s1