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

Systemtic Name: 5-methyl-4-[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]-2-(pyridin-3-ylmethylsulfanyl)pyrimidine Openeye Name: 5-methyl-4-[(3S)-1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-3-yl]-2-(3-pyridylmethylsulfanyl)pyrimidine CAS Name: 5-methyl-4-[(3S)-1-[(3-methyl-2-thiophenyl)methyl]-3-piperidin-1-iumyl]-2-(3-pyridinylmethylthio)pyrimidine IUPAC Name: 5-methyl-4-[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]-2-(pyridin-3-ylmethylsulfanyl)pyrimidine Traditional Name: 5-methyl-4-[(3S)-1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-3-yl]-2-(3-pyridylmethylthio)pyrimidine Formula: C22H27N4S2+ MolecularWeight: 411.60658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCCC(C2)C3=NC(=NC=C3C)SCC4=CN=CC=C4

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCC[C@@H](C2)C3=NC(=NC=C3C)SCC4=CN=CC=C4

InChI

InChI=1S/C22H26N4S2/c1-16-7-10-27-20(16)14-26-9-4-6-19(13-26)21-17(2)11-24-22(25-21)28-15-18-5-3-8-23-12-18/h3,5,7-8,10-12,19H,4,6,9,13-15H2,1-2H3/p+1/t19-/m0/s1