4-[[4-[(E)-2-(5-chloranyl-1,3,3-trimethyl-indol-1-ium-2-yl)ethenyl]phenyl]amino]pentanenitrile chloride

Systemtic Name: 4-[[4-[(E)-2-(5-chloranyl-1,3,3-trimethyl-indol-1-ium-2-yl)ethenyl]phenyl]amino]pentanenitrile chloride Openeye Name: 4-[4-[(E)-2-(5-chloro-1,3,3-trimethyl-indol-1-ium-2-yl)vinyl]anilino]pentanenitrile chloride CAS Name: 4-[4-[(E)-2-(5-chloro-1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]anilino]pentanenitrile chloride IUPAC Name: 4-[4-[(E)-2-(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]pentanenitrile chloride Traditional Name: 4-[4-[(E)-2-(5-chloro-1,3,3-trimethyl-indol-1-ium-2-yl)vinyl]anilino]valeronitrile chloride Formula: C24H27Cl2N3 MolecularWeight: 428.39728

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC#N)NC1=CC=C(C=C1)C=CC2=[N+](C3=C(C2(C)C)C=C(C=C3)Cl)C.[Cl-]

Isomeric SMILES

CC(CCC#N)NC1=CC=C(C=C1)/C=C/C2=[N+](C3=C(C2(C)C)C=C(C=C3)Cl)C.[Cl-]

InChI

InChI=1S/C24H26ClN3.ClH/c1-17(6-5-15-26)27-20-11-7-18(8-12-20)9-14-23-24(2,3)21-16-19(25)10-13-22(21)28(23)4;/h7-14,16-17H,5-6H2,1-4H3;1H