1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]-2-thiophen-3-yl-ethanone

Systemtic Name: 1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]-2-thiophen-3-yl-ethanone Openeye Name: 1-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]-2-(3-thienyl)ethanone CAS Name: 1-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]-2-(3-thiophenyl)ethanone IUPAC Name: 1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone Traditional Name: 1-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidino]-2-(3-thienyl)ethanone Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2CCN(C2)C(=O)CC3=CSC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1CN(C[C@H]1C2CC[NH+](CC2)CC3=CN=CC=C3)C(=O)CC4=CSC=C4

InChI

InChI=1S/C21H27N3OS/c25-21(12-17-6-11-26-16-17)24-10-5-20(15-24)19-3-8-23(9-4-19)14-18-2-1-7-22-13-18/h1-2,6-7,11,13,16,19-20H,3-5,8-10,12,14-15H2/p+1/t20-/m0/s1