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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCC[NH+](C2)CC3=CN=C(N=C3)SC

Isomeric SMILES

CN(CCC1=CC=CC=C1)[C@H]2CCC[NH+](C2)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C20H28N4S/c1-23(12-10-17-7-4-3-5-8-17)19-9-6-11-24(16-19)15-18-13-21-20(25-2)22-14-18/h3-5,7-8,13-14,19H,6,9-12,15-16H2,1-2H3/p+1/t19-/m0/s1