1-[4-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[(3R)-3-(1-pyrimidin-2-yl-4-piperidyl)pyrrolidin-1-ium-1-yl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[(3R)-3-[1-(2-pyrimidinyl)-4-piperidinyl]-1-pyrrolidin-1-iumyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[(3R)-3-[1-(2-pyrimidyl)-4-piperidyl]pyrrolidin-1-ium-1-yl]methyl]-2-thienyl]ethanone Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCC(C2)C3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CC[C@@H](C2)C3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H26N4OS/c1-15(25)19-11-16(14-26-19)12-23-8-3-18(13-23)17-4-9-24(10-5-17)20-21-6-2-7-22-20/h2,6-7,11,14,17-18H,3-5,8-10,12-13H2,1H3/p+1/t18-/m0/s1