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

Systemtic Name: 2-[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]-3-prop-2-enyl-1,3-benzothiazol-3-ium bromide Openeye Name: 3-allyl-2-[(E)-2-[4-(1-piperidyl)phenyl]vinyl]-1,3-benzothiazol-3-ium bromide CAS Name: 2-[(E)-2-[4-(1-piperidinyl)phenyl]ethenyl]-3-prop-2-enyl-1,3-benzothiazol-3-ium bromide IUPAC Name: 2-[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]-3-prop-2-enyl-1,3-benzothiazol-3-ium bromide Traditional Name: 3-allyl-2-[(E)-2-(4-piperidinophenyl)vinyl]-1,3-benzothiazol-3-ium bromide Formula: C23H25BrN2S MolecularWeight: 441.427

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(SC2=CC=CC=C21)C=CC3=CC=C(C=C3)N4CCCCC4.[Br-]

Isomeric SMILES

C=CC[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N4CCCCC4.[Br-]

InChI

InChI=1S/C23H25N2S.BrH/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;/h2,4-5,8-15H,1,3,6-7,16-18H2;1H/q+1;/p-1