N-[(E)-3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propylideneamino]aniline bromide

Systemtic Name: N-[(E)-3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propylideneamino]aniline bromide Openeye Name: N-[(E)-3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propylideneamino]aniline bromide CAS Name: N-[(E)-3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propylideneamino]aniline bromide IUPAC Name: N-[(E)-3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propylideneamino]aniline bromide Traditional Name: [(E)-3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propylideneamino]-phenyl-amine bromide Formula: C17H18BrN3S MolecularWeight: 376.31392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CCC=NNC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CC/C=N/NC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H18N3S.BrH/c1-14-20(16-10-5-6-11-17(16)21-14)13-7-12-18-19-15-8-3-2-4-9-15;/h2-6,8-12,19H,7,13H2,1H3;1H/q+1;/p-1/b18-12+;