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

Systemtic Name: 2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]pyrimidine Openeye Name: 2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-4-[(3S)-1-(2-thienylmethyl)piperidin-1-ium-3-yl]pyrimidine CAS Name: 2-[2-(1-pyrrolidin-1-iumyl)ethylthio]-4-[(3S)-1-(thiophen-2-ylmethyl)-3-piperidin-1-iumyl]pyrimidine IUPAC Name: 2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]pyrimidine Traditional Name: 2-(2-pyrrolidin-1-ium-1-ylethylthio)-4-[(3S)-1-(2-thenyl)piperidin-1-ium-3-yl]pyrimidine Formula: C20H30N4S2+2 MolecularWeight: 390.609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4S2/c1-2-10-23(9-1)12-14-26-20-21-8-7-19(22-20)17-5-3-11-24(15-17)16-18-6-4-13-25-18/h4,6-8,13,17H,1-3,5,9-12,14-16H2/p+2/t17-/m0/s1