N-[1-[(2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[(2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[(2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[[2-(methylthio)-4-oxo-1H-pyrimidin-6-yl]methyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[(2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[[4-keto-2-(methylthio)-1H-pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]benzamide Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C=C(N1)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=O)C=C(N1)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O2S/c1-25-18-20-15(11-16(23)21-18)12-22-9-7-14(8-10-22)19-17(24)13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,19,24)(H,20,21,23)/p+1