4-[(3S)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-3-yl]-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidine

Systemtic Name: 4-[(3S)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-3-yl]-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidine Openeye Name: 4-[(3S)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-3-yl]-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidine CAS Name: 4-[(3S)-1-[[(1R)-1-cyclohex-3-enyl]methyl]-3-piperidin-1-iumyl]-2-[2-(1-pyrrolidin-1-iumyl)ethylthio]pyrimidine IUPAC Name: 4-[(3S)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-3-yl]-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrimidine Traditional Name: 4-[(3S)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-3-yl]-2-(2-pyrrolidin-1-ium-1-ylethylthio)pyrimidine Formula: C22H36N4S+2 MolecularWeight: 388.61304

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCSC2=NC=CC(=N2)C3CCC[NH+](C3)CC4CCC=CC4

Isomeric SMILES

C1CC[NH+](C1)CCSC2=NC=CC(=N2)[C@H]3CCC[NH+](C3)C[C@@H]4CCC=CC4

InChI

InChI=1S/C22H34N4S/c1-2-7-19(8-3-1)17-26-14-6-9-20(18-26)21-10-11-23-22(24-21)27-16-15-25-12-4-5-13-25/h1-2,10-11,19-20H,3-9,12-18H2/p+2/t19-,20-/m0/s1