5-chloranyl-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C18H21Cl2N4OS+ MolecularWeight: 412.35654

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H20Cl2N4OS/c1-26-18-21-10-15(20)16(23-18)17(25)22-14-6-8-24(9-7-14)11-12-2-4-13(19)5-3-12/h2-5,10,14H,6-9,11H2,1H3,(H,22,25)/p+1