4-[(3S)-1-(oxan-4-yl)piperidin-1-ium-3-yl]-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidine

Systemtic Name: 4-[(3S)-1-(oxan-4-yl)piperidin-1-ium-3-yl]-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidine Openeye Name: 2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-4-[(3S)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]pyrimidine CAS Name: 4-[(3S)-1-(4-oxanyl)-3-piperidin-1-iumyl]-2-[2-(1-pyrrolidin-1-iumyl)ethylthio]pyrimidine IUPAC Name: 4-[(3S)-1-(oxan-4-yl)piperidin-1-ium-3-yl]-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidine Traditional Name: 2-(2-pyrrolidin-1-ium-1-ylethylthio)-4-[(3S)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]pyrimidine Formula: C20H34N4OS+2 MolecularWeight: 378.57516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCSC2=NC=CC(=N2)C3CCC[NH+](C3)C4CCOCC4

Isomeric SMILES

C1CC[NH+](C1)CCSC2=NC=CC(=N2)[C@H]3CCC[NH+](C3)C4CCOCC4

InChI

InChI=1S/C20H32N4OS/c1-2-10-23(9-1)12-15-26-20-21-8-5-19(22-20)17-4-3-11-24(16-17)18-6-13-25-14-7-18/h5,8,17-18H,1-4,6-7,9-16H2/p+2/t17-/m0/s1