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

Systemtic Name: 2-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-[[(3R)-3-(1-pyrimidin-2-yl-4-piperidyl)pyrrolidin-1-ium-1-yl]methyl]thiazole CAS Name: 2-[[(3R)-3-[1-(2-pyrimidinyl)-4-piperidinyl]-1-pyrrolidin-1-iumyl]methyl]thiazole IUPAC Name: 2-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-[[(3R)-3-[1-(2-pyrimidyl)-4-piperidyl]pyrrolidin-1-ium-1-yl]methyl]thiazole Formula: C17H24N5S+ MolecularWeight: 330.47096

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1C2CCN(CC2)C3=NC=CC=N3)CC4=NC=CS4

Isomeric SMILES

C1C[NH+](C[C@H]1C2CCN(CC2)C3=NC=CC=N3)CC4=NC=CS4

InChI

InChI=1S/C17H23N5S/c1-5-19-17(20-6-1)22-9-3-14(4-10-22)15-2-8-21(12-15)13-16-18-7-11-23-16/h1,5-7,11,14-15H,2-4,8-10,12-13H2/p+1/t15-/m0/s1