3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(3R)-thiolan-3-yl]azanium

Systemtic Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(3R)-thiolan-3-yl]azanium Openeye Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(3R)-tetrahydrothiophen-3-yl]ammonium CAS Name: 3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl-[(3R)-3-thiolanyl]ammonium IUPAC Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(3R)-thiolan-3-yl]azanium Traditional Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(3R)-tetrahydrothiophen-3-yl]ammonium Formula: C13H28N2S+2 MolecularWeight: 244.43982

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[NH2+]C2CCSC2

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[NH2+][C@@H]2CCSC2

InChI

InChI=1S/C13H26N2S/c1-12-5-2-3-8-15(12)9-4-7-14-13-6-10-16-11-13/h12-14H,2-11H2,1H3/p+2/t12-,13+/m0/s1