2-[4-[(3R)-1-(thian-4-yl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine

Systemtic Name: 2-[4-[(3R)-1-(thian-4-yl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine Openeye Name: 2-[4-[(3R)-1-tetrahydrothiopyran-4-ylpyrrolidin-1-ium-3-yl]-1-piperidyl]pyrimidine CAS Name: 2-[4-[(3R)-1-(4-thianyl)-3-pyrrolidin-1-iumyl]-1-piperidinyl]pyrimidine IUPAC Name: 2-[4-[(3R)-1-(thian-4-yl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]pyrimidine Traditional Name: 2-[4-[(3R)-1-tetrahydrothiopyran-4-ylpyrrolidin-1-ium-3-yl]piperidino]pyrimidine Formula: C18H29N4S+ MolecularWeight: 333.51466

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1C2CCN(CC2)C3=NC=CC=N3)C4CCSCC4

Isomeric SMILES

C1C[NH+](C[C@H]1C2CCN(CC2)C3=NC=CC=N3)C4CCSCC4

InChI

InChI=1S/C18H28N4S/c1-7-19-18(20-8-1)21-9-2-15(3-10-21)16-4-11-22(14-16)17-5-12-23-13-6-17/h1,7-8,15-17H,2-6,9-14H2/p+1/t16-/m0/s1