2-[(E)-2-phenylethenyl]-3-prop-2-enyl-1,3-benzothiazol-3-ium bromide

Systemtic Name: 2-[(E)-2-phenylethenyl]-3-prop-2-enyl-1,3-benzothiazol-3-ium bromide Openeye Name: 3-allyl-2-[(E)-styryl]-1,3-benzothiazol-3-ium bromide CAS Name: 2-[(E)-2-phenylethenyl]-3-prop-2-enyl-1,3-benzothiazol-3-ium bromide IUPAC Name: 2-[(E)-2-phenylethenyl]-3-prop-2-enyl-1,3-benzothiazol-3-ium bromide Traditional Name: 3-allyl-2-[(E)-styryl]-1,3-benzothiazol-3-ium bromide Formula: C18H16BrNS MolecularWeight: 358.29534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16NS.BrH/c1-2-14-19-16-10-6-7-11-17(16)20-18(19)13-12-15-8-4-3-5-9-15;/h2-13H,1,14H2;1H/q+1;/p-1/b13-12+;