N-[(E)-1-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-2-yl]aniline iodide

Systemtic Name: N-[(E)-1-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-2-yl]aniline iodide Openeye Name: N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-1-methyl-vinyl]aniline iodide CAS Name: N-[(E)-1-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-2-yl]aniline iodide IUPAC Name: N-[(E)-1-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-2-yl]aniline iodide Traditional Name: [(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-1-methyl-vinyl]-phenyl-amine iodide Formula: C18H19IN2S MolecularWeight: 422.32633

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=C(C)NC3=CC=CC=C3.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C(\C)/NC3=CC=CC=C3.[I-]

InChI

InChI=1S/C18H18N2S.HI/c1-3-20-16-11-7-8-12-17(16)21-18(20)13-14(2)19-15-9-5-4-6-10-15;/h4-13H,3H2,1-2H3;1H