(3S)-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-[[2-(methylthio)-5-pyrimidinyl]methyl]-1-(3-phenylpropyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-1-ium-3-amine Traditional Name: [2-(methylthio)pyrimidin-5-yl]methyl-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]amine Formula: C20H29N4S+ MolecularWeight: 357.53606

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)CNC2CCC[NH+](C2)CCCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC=C(C=N1)CN[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C20H28N4S/c1-25-20-22-14-18(15-23-20)13-21-19-10-6-12-24(16-19)11-5-9-17-7-3-2-4-8-17/h2-4,7-8,14-15,19,21H,5-6,9-13,16H2,1H3/p+1/t19-/m0/s1