5-methyl-2-(pyridin-2-ylmethylsulfanyl)-4-[(3S)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]pyrimidine

Systemtic Name: 5-methyl-2-(pyridin-2-ylmethylsulfanyl)-4-[(3S)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]pyrimidine Openeye Name: 5-methyl-2-(2-pyridylmethylsulfanyl)-4-[(3S)-1-(3-thienylmethyl)piperidin-1-ium-3-yl]pyrimidine CAS Name: 5-methyl-2-(2-pyridinylmethylthio)-4-[(3S)-1-(3-thiophenylmethyl)-3-piperidin-1-iumyl]pyrimidine IUPAC Name: 5-methyl-2-(pyridin-2-ylmethylsulfanyl)-4-[(3S)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]pyrimidine Traditional Name: 5-methyl-2-(2-pyridylmethylthio)-4-[(3S)-1-(3-thenyl)piperidin-1-ium-3-yl]pyrimidine Formula: C21H25N4S2+ MolecularWeight: 397.58

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCC[NH+](C2)CC3=CSC=C3)SCC4=CC=CC=N4

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCC[NH+](C2)CC3=CSC=C3)SCC4=CC=CC=N4

InChI

InChI=1S/C21H24N4S2/c1-16-11-23-21(27-15-19-6-2-3-8-22-19)24-20(16)18-5-4-9-25(13-18)12-17-7-10-26-14-17/h2-3,6-8,10-11,14,18H,4-5,9,12-13,15H2,1H3/p+1/t18-/m0/s1