2-[(E)-2-(2-piperidin-1-ylquinolin-3-yl)ethenyl]-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(E)-2-(2-piperidin-1-ylquinolin-3-yl)ethenyl]-1,3-benzothiazol-3-ium Openeye Name: 2-[(E)-2-[2-(1-piperidyl)-3-quinolyl]vinyl]-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-2-[2-(1-piperidinyl)-3-quinolinyl]ethenyl]-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-2-(2-piperidin-1-ylquinolin-3-yl)ethenyl]-1,3-benzothiazol-3-ium Traditional Name: 2-[(E)-2-(2-piperidino-3-quinolyl)vinyl]-1,3-benzothiazol-3-ium Formula: C23H22N3S+ MolecularWeight: 372.50588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=CC=CC=C3C=C2C=CC4=[NH+]C5=CC=CC=C5S4

Isomeric SMILES

C1CCN(CC1)C2=NC3=CC=CC=C3C=C2/C=C/C4=[NH+]C5=CC=CC=C5S4

InChI

InChI=1S/C23H21N3S/c1-6-14-26(15-7-1)23-18(16-17-8-2-3-9-19(17)25-23)12-13-22-24-20-10-4-5-11-21(20)27-22/h2-5,8-13,16H,1,6-7,14-15H2/p+1/b13-12+