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

Systemtic Name: 4-chloranyl-2-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-chloro-2-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-chloro-2-[[(3S)-3-[2-[2-(1-pyrrolidin-1-iumyl)ethylthio]-4-pyrimidinyl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-chloro-2-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-chloro-2-[[(3S)-3-[2-(2-pyrrolidin-1-ium-1-ylethylthio)pyrimidin-4-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C22H31ClN4OS+2 MolecularWeight: 435.02574

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCSC2=NC=CC(=N2)C3CCC[NH+](C3)CC4=C(C=CC(=C4)Cl)O

Isomeric SMILES

C1CC[NH+](C1)CCSC2=NC=CC(=N2)[C@H]3CCC[NH+](C3)CC4=C(C=CC(=C4)Cl)O

InChI

InChI=1S/C22H29ClN4OS/c23-19-5-6-21(28)18(14-19)16-27-11-3-4-17(15-27)20-7-8-24-22(25-20)29-13-12-26-9-1-2-10-26/h5-8,14,17,28H,1-4,9-13,15-16H2/p+2/t17-/m0/s1