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

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]pyrimidine-4-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-5-chloro-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C19H23ClN5O2S+ MolecularWeight: 420.93622

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H22ClN5O2S/c1-28-19-21-11-15(20)17(24-19)18(27)23-14-7-9-25(10-8-14)12-16(26)22-13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,22,26)(H,23,27)/p+1