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

Systemtic Name: 4-[[4-[(E)-2-(5-chloranyl-1,3,3-trimethyl-indol-1-ium-2-yl)ethenyl]-3-methyl-phenyl]amino]pentanenitrile chloride Openeye Name: 4-[4-[(E)-2-(5-chloro-1,3,3-trimethyl-indol-1-ium-2-yl)vinyl]-3-methyl-anilino]pentanenitrile chloride CAS Name: 4-[4-[(E)-2-(5-chloro-1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]-3-methylanilino]pentanenitrile chloride IUPAC Name: 4-[4-[(E)-2-(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-3-methylanilino]pentanenitrile chloride Traditional Name: 4-[4-[(E)-2-(5-chloro-1,3,3-trimethyl-indol-1-ium-2-yl)vinyl]-3-methyl-anilino]valeronitrile chloride Formula: C25H29Cl2N3 MolecularWeight: 442.42386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(C)CCC#N)C=CC2=[N+](C3=C(C2(C)C)C=C(C=C3)Cl)C.[Cl-]

Isomeric SMILES

CC1=C(C=CC(=C1)NC(C)CCC#N)/C=C/C2=[N+](C3=C(C2(C)C)C=C(C=C3)Cl)C.[Cl-]

InChI

InChI=1S/C25H28ClN3.ClH/c1-17-15-21(28-18(2)7-6-14-27)11-8-19(17)9-13-24-25(3,4)22-16-20(26)10-12-23(22)29(24)5;/h8-13,15-16,18H,6-7H2,1-5H3;1H