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

Systemtic Name: N-methyl-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-methyl-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-methyl-3-[1-[[2-(methylthio)-5-pyrimidinyl]methyl]-4-piperidin-1-iumyl]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-N-methyl-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-benzyl-N-methyl-3-[1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]propionamide Formula: C22H31N4OS+ MolecularWeight: 399.57274

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)CCC2CC[NH+](CC2)CC3=CN=C(N=C3)SC

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)CCC2CC[NH+](CC2)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C22H30N4OS/c1-25(16-19-6-4-3-5-7-19)21(27)9-8-18-10-12-26(13-11-18)17-20-14-23-22(28-2)24-15-20/h3-7,14-15,18H,8-13,16-17H2,1-2H3/p+1