2-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]thiazole CAS Name: 2-[[(3S)-3-[2-[2-(1-pyrrolidin-1-iumyl)ethylthio]-4-pyrimidinyl]-1-piperidin-1-iumyl]methyl]thiazole IUPAC Name: 2-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylthio)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]thiazole Formula: C19H29N5S2+2 MolecularWeight: 391.59706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCSC2=NC=CC(=N2)C3CCC[NH+](C3)CC4=NC=CS4

Isomeric SMILES

C1CC[NH+](C1)CCSC2=NC=CC(=N2)[C@H]3CCC[NH+](C3)CC4=NC=CS4

InChI

InChI=1S/C19H27N5S2/c1-2-9-23(8-1)11-13-26-19-21-6-5-17(22-19)16-4-3-10-24(14-16)15-18-20-7-12-25-18/h5-7,12,16H,1-4,8-11,13-15H2/p+2/t16-/m0/s1