2-[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]-3-prop-2-ynyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]-3-prop-2-ynyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(E)-2-[4-(1-piperidyl)phenyl]vinyl]-3-prop-2-ynyl-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-2-[4-(1-piperidinyl)phenyl]ethenyl]-3-prop-2-ynyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]-3-prop-2-ynyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(E)-2-(4-piperidinophenyl)vinyl]-3-propargyl-1,3-benzothiazol-3-ium Formula: C23H23N2S+ MolecularWeight: 359.50712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC[N+]1=C(SC2=CC=CC=C21)C=CC3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

C#CC[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C23H23N2S/c1-2-16-25-21-8-4-5-9-22(21)26-23(25)15-12-19-10-13-20(14-11-19)24-17-6-3-7-18-24/h1,4-5,8-15H,3,6-7,16-18H2/q+1