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

Systemtic Name: N-(2-methoxyethyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-(2-methoxyethyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-(2-methoxyethyl)-3-[1-[[2-(methylthio)-5-pyrimidinyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(2-methoxyethyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(2-methoxyethyl)-3-[1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]propionamide Formula: C17H29N4O2S+ MolecularWeight: 353.50276

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CCC1CC[NH+](CC1)CC2=CN=C(N=C2)SC

Isomeric SMILES

COCCNC(=O)CCC1CC[NH+](CC1)CC2=CN=C(N=C2)SC

InChI

InChI=1S/C17H28N4O2S/c1-23-10-7-18-16(22)4-3-14-5-8-21(9-6-14)13-15-11-19-17(24-2)20-12-15/h11-12,14H,3-10,13H2,1-2H3,(H,18,22)/p+1