N,N-dibutyl-4-[(E)-2-(3-heptyl-2H-1,3-benzothiazol-2-yl)ethenyl]aniline iodide

Systemtic Name: N,N-dibutyl-4-[(E)-2-(3-heptyl-2H-1,3-benzothiazol-2-yl)ethenyl]aniline iodide Openeye Name: N,N-dibutyl-4-[(E)-2-(3-heptyl-2H-1,3-benzothiazol-2-yl)vinyl]aniline iodide CAS Name: N,N-dibutyl-4-[(E)-2-(3-heptyl-2H-1,3-benzothiazol-2-yl)ethenyl]aniline iodide IUPAC Name: N,N-dibutyl-4-[(E)-2-(3-heptyl-2H-1,3-benzothiazol-2-yl)ethenyl]aniline iodide Traditional Name: dibutyl-[4-[(E)-2-(3-heptyl-2H-1,3-benzothiazol-2-yl)vinyl]phenyl]amine iodide Formula: C30H44IN2S- MolecularWeight: 591.65323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(SC2=CC=CC=C21)C=CC3=CC=C(C=C3)N(CCCC)CCCC.[I-]

Isomeric SMILES

CCCCCCCN1C(SC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(CCCC)CCCC.[I-]

InChI

InChI=1S/C30H44N2S.HI/c1-4-7-10-11-14-25-32-28-15-12-13-16-29(28)33-30(32)22-19-26-17-20-27(21-18-26)31(23-8-5-2)24-9-6-3;/h12-13,15-22,30H,4-11,14,23-25H2,1-3H3;1H/p-1/b22-19+;