3-chloranyl-N-(2-methoxyethyl)-4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: 3-chloranyl-N-(2-methoxyethyl)-4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: 3-chloro-N-(2-methoxyethyl)-4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]oxy-benzamide CAS Name: 3-chloro-N-(2-methoxyethyl)-4-[[1-[[2-(methylthio)-5-pyrimidinyl]methyl]-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: 3-chloro-N-(2-methoxyethyl)-4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]oxybenzamide Traditional Name: 3-chloro-N-(2-methoxyethyl)-4-[1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]oxy-benzamide Formula: C21H28ClN4O3S+ MolecularWeight: 451.99002

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC(=C(C=C1)OC2CC[NH+](CC2)CC3=CN=C(N=C3)SC)Cl

Isomeric SMILES

COCCNC(=O)C1=CC(=C(C=C1)OC2CC[NH+](CC2)CC3=CN=C(N=C3)SC)Cl

InChI

InChI=1S/C21H27ClN4O3S/c1-28-10-7-23-20(27)16-3-4-19(18(22)11-16)29-17-5-8-26(9-6-17)14-15-12-24-21(30-2)25-13-15/h3-4,11-13,17H,5-10,14H2,1-2H3,(H,23,27)/p+1