(2R,6R)-2-but-3-enyl-6-thiophen-2-yl-piperidin-1-ium

Systemtic Name: (2R,6R)-2-but-3-enyl-6-thiophen-2-yl-piperidin-1-ium Openeye Name: (2R,6R)-2-but-3-enyl-6-(2-thienyl)piperidin-1-ium CAS Name: (2R,6R)-2-but-3-enyl-6-thiophen-2-ylpiperidin-1-ium IUPAC Name: (2R,6R)-2-but-3-enyl-6-thiophen-2-ylpiperidin-1-ium Traditional Name: (2R,6R)-2-but-3-enyl-6-(2-thienyl)piperidin-1-ium Formula: C13H20NS+ MolecularWeight: 222.3696

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1CCCC([NH2+]1)C2=CC=CS2

Isomeric SMILES

C=CCC[C@H]1CCC[C@@H]([NH2+]1)C2=CC=CS2

InChI

InChI=1S/C13H19NS/c1-2-3-6-11-7-4-8-12(14-11)13-9-5-10-15-13/h2,5,9-12,14H,1,3-4,6-8H2/p+1/t11-,12+/m0/s1