2-phenyl-5-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-phenyl-5-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-phenyl-5-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]thiazole CAS Name: 2-phenyl-5-[[(3S)-3-[2-[2-(1-pyrrolidin-1-iumyl)ethylthio]-4-pyrimidinyl]-1-piperidin-1-iumyl]methyl]thiazole IUPAC Name: 2-phenyl-5-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-phenyl-5-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylthio)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]thiazole Formula: C25H33N5S2+2 MolecularWeight: 467.69302

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCSC2=NC=CC(=N2)C3CCC[NH+](C3)CC4=CN=C(S4)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CCSC2=NC=CC(=N2)[C@H]3CCC[NH+](C3)CC4=CN=C(S4)C5=CC=CC=C5

InChI

InChI=1S/C25H31N5S2/c1-2-7-20(8-3-1)24-27-17-22(32-24)19-30-14-6-9-21(18-30)23-10-11-26-25(28-23)31-16-15-29-12-4-5-13-29/h1-3,7-8,10-11,17,21H,4-6,9,12-16,18-19H2/p+2/t21-/m0/s1