(2R)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-methyl-propanenitrile

Systemtic Name: (2R)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-methyl-propanenitrile Openeye Name: (2R)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-methyl-propanenitrile CAS Name: (2R)-3-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-2-methylpropanenitrile IUPAC Name: (2R)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-methylpropanenitrile Traditional Name: (2R)-3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-2-methyl-propionitrile Formula: C16H20N3S+ MolecularWeight: 286.4151

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3S2)C#N

Isomeric SMILES

C[C@H](C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3S2)C#N

InChI

InChI=1S/C16H19N3S/c1-12(10-17)11-19-8-6-13(7-9-19)16-18-14-4-2-3-5-15(14)20-16/h2-5,12-13H,6-9,11H2,1H3/p+1/t12-/m0/s1