2-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-[(E)-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C21H23N2S+ MolecularWeight: 335.48572

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC=CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H22N2S/c1-2-7-17(8-3-1)9-6-14-23-15-12-18(13-16-23)21-22-19-10-4-5-11-20(19)24-21/h1-11,18H,12-16H2/p+1/b9-6+