2-[(E)-2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]ethenyl]-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]ethenyl]-1,3-benzothiazole Openeye Name: 2-[(E)-2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]vinyl]-1,3-benzothiazole CAS Name: 2-[(E)-2-[4-(1-piperidin-1-iumylmethyl)phenyl]ethenyl]-1,3-benzothiazole IUPAC Name: 2-[(E)-2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]ethenyl]-1,3-benzothiazole Traditional Name: 2-[(E)-2-[4-(piperidin-1-ium-1-ylmethyl)phenyl]vinyl]-1,3-benzothiazole Formula: C21H23N2S+ MolecularWeight: 335.48572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C=CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)/C=C/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2S/c1-4-14-23(15-5-1)16-18-10-8-17(9-11-18)12-13-21-22-19-6-2-3-7-20(19)24-21/h2-3,6-13H,1,4-5,14-16H2/p+1/b13-12+