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

Systemtic Name: 3-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanenitrile Openeye Name: 3-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanenitrile CAS Name: 3-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]propanenitrile IUPAC Name: 3-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanenitrile Traditional Name: 3-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propionitrile Formula: C15H18N3S+ MolecularWeight: 272.38852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=NC3=CC=CC=C3S2)CCC#N

Isomeric SMILES

C1CC[NH+]([C@H](C1)C2=NC3=CC=CC=C3S2)CCC#N

InChI

InChI=1S/C15H17N3S/c16-9-5-11-18-10-4-3-7-13(18)15-17-12-6-1-2-8-14(12)19-15/h1-2,6,8,13H,3-5,7,10-11H2/p+1/t13-/m1/s1