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

Systemtic Name: 4-methyl-N-[(E)-3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propylideneamino]aniline bromide Openeye Name: 4-methyl-N-[(E)-3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propylideneamino]aniline bromide CAS Name: 4-methyl-N-[(E)-3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propylideneamino]aniline bromide IUPAC Name: 4-methyl-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]-(p-tolyl)amine bromide Formula: C18H20BrN3S MolecularWeight: 390.3405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NN=CCC[N+]2=C(SC3=CC=CC=C32)C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)N/N=C/CC[N+]2=C(SC3=CC=CC=C32)C.[Br-]

InChI

InChI=1S/C18H20N3S.BrH/c1-14-8-10-16(11-9-14)20-19-12-5-13-21-15(2)22-18-7-4-3-6-17(18)21;/h3-4,6-12,20H,5,13H2,1-2H3;1H/q+1;/p-1/b19-12+;