(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[[2-(methylthio)-5-pyrimidinyl]methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[[2-(methylthio)pyrimidin-5-yl]methyl]-(3-pyridylmethyl)ammonium Formula: C23H35N5S+2 MolecularWeight: 413.6225

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C23H33N5S/c1-29-23-25-14-21(15-26-23)18-27(17-20-5-4-10-24-13-20)16-19-8-11-28(12-9-19)22-6-2-3-7-22/h4-5,10,13-15,19,22H,2-3,6-9,11-12,16-18H2,1H3/p+2