N-[(E)-2-(5-chloranyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-methyl-aniline

Systemtic Name: N-[(E)-2-(5-chloranyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-methyl-aniline Openeye Name: N-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N-methyl-aniline CAS Name: N-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-methylaniline IUPAC Name: N-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-methylaniline Traditional Name: [(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-methyl-phenyl-amine Formula: C18H18ClN2S+ MolecularWeight: 329.86692

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C=C2)Cl)C=CN(C)C3=CC=CC=C3

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)Cl)/C=C/N(C)C3=CC=CC=C3

InChI

InChI=1S/C18H18ClN2S/c1-3-21-16-13-14(19)9-10-17(16)22-18(21)11-12-20(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3/q+1