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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4S2/c1-2-9-23(8-1)11-13-26-20-21-7-5-19(22-20)18-4-3-10-24(15-18)14-17-6-12-25-16-17/h5-7,12,16,18H,1-4,8-11,13-15H2/p+2/t18-/m0/s1