N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ium-1-yl-ethanamine

Systemtic Name: N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ium-1-yl-ethanamine Openeye Name: N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ium-1-yl-ethanamine CAS Name: N-[[(3R)-1-cyclopentyl-3-piperidin-1-iumyl]methyl]-N-[[2-(methylthio)-5-pyrimidinyl]methyl]-2-(1-piperidin-1-iumyl)ethanamine IUPAC Name: N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ium-1-ylethanamine Traditional Name: [(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-[[2-(methylthio)pyrimidin-5-yl]methyl]-(2-piperidin-1-ium-1-ylethyl)amine Formula: C24H43N5S+2 MolecularWeight: 433.69672

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)CN(CC[NH+]2CCCCC2)CC3CCC[NH+](C3)C4CCCC4

Isomeric SMILES

CSC1=NC=C(C=N1)CN(CC[NH+]2CCCCC2)C[C@H]3CCC[NH+](C3)C4CCCC4

InChI

InChI=1S/C24H41N5S/c1-30-24-25-16-22(17-26-24)19-28(15-14-27-11-5-2-6-12-27)18-21-8-7-13-29(20-21)23-9-3-4-10-23/h16-17,21,23H,2-15,18-20H2,1H3/p+2/t21-/m1/s1