4-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidine

Systemtic Name: 4-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidine Openeye Name: 4-[(3S)-1-[(5-ethyl-2-furyl)methyl]-3-piperidyl]-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidine CAS Name: 4-[(3S)-1-[(5-ethyl-2-furanyl)methyl]-3-piperidinyl]-2-[2-(1-pyrrolidin-1-iumyl)ethylthio]pyrimidine IUPAC Name: 4-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidine Traditional Name: 4-[(3S)-1-[(5-ethyl-2-furyl)methyl]-3-piperidyl]-2-(2-pyrrolidin-1-ium-1-ylethylthio)pyrimidine Formula: C22H33N4OS+ MolecularWeight: 401.58862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)CN2CCCC(C2)C3=NC(=NC=C3)SCC[NH+]4CCCC4

Isomeric SMILES

CCC1=CC=C(O1)CN2CCC[C@@H](C2)C3=NC(=NC=C3)SCC[NH+]4CCCC4

InChI

InChI=1S/C22H32N4OS/c1-2-19-7-8-20(27-19)17-26-13-5-6-18(16-26)21-9-10-23-22(24-21)28-15-14-25-11-3-4-12-25/h7-10,18H,2-6,11-17H2,1H3/p+1/t18-/m0/s1