3-[2-cyanoethyl-[4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]phenyl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]phenyl]amino]propanenitrile Openeye Name: 3-[N-(2-cyanoethyl)-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]anilino]propanenitrile CAS Name: 3-[N-(2-cyanoethyl)-4-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]anilino]propanenitrile IUPAC Name: 3-[N-(2-cyanoethyl)-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile Traditional Name: 3-[N-(2-cyanoethyl)-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]anilino]propionitrile Formula: C25H27N4+ MolecularWeight: 383.50868

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H27N4/c1-25(2)22-8-4-5-9-23(22)28(3)24(25)15-12-20-10-13-21(14-11-20)29(18-6-16-26)19-7-17-27/h4-5,8-15H,6-7,18-19H2,1-3H3/q+1