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

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]propanamide CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-3-[(3R)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]propionamide Formula: C21H37N5OS+2 MolecularWeight: 407.61638

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)CCC2CCC[NH+](C2)CC3=CN=C(N=C3)SC

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)CC[C@H]2CCC[NH+](C2)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C21H35N5OS/c1-24-11-8-19(9-12-24)25(2)20(27)7-6-17-5-4-10-26(15-17)16-18-13-22-21(28-3)23-14-18/h13-14,17,19H,4-12,15-16H2,1-3H3/p+2/t17-/m1/s1