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

Systemtic Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(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:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCC#N

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCC#N

InChI

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