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

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrimidine-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-pyrimidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C18H22ClN4OS+ MolecularWeight: 377.91148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4OS/c1-25-18-20-11-15(19)16(22-18)17(24)21-14-7-9-23(10-8-14)12-13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,21,24)/p+1