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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)CCC2CC[NH+](CC2)CC3=CN=C(N=C3)SC

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)CCC2CC[NH+](CC2)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C21H35N5OS/c1-3-26-10-4-5-19(26)15-22-20(27)7-6-17-8-11-25(12-9-17)16-18-13-23-21(28-2)24-14-18/h13-14,17,19H,3-12,15-16H2,1-2H3,(H,22,27)/p+2/t19-/m0/s1