2-[(E)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)ethenyl]-1,3,3-trimethyl-indol-1-ium chloride

Systemtic Name: 2-[(E)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)ethenyl]-1,3,3-trimethyl-indol-1-ium chloride Openeye Name: 2-[(E)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)vinyl]-1,3,3-trimethyl-indol-1-ium chloride CAS Name: 2-[(E)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)ethenyl]-1,3,3-trimethylindol-1-ium chloride IUPAC Name: 2-[(E)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)ethenyl]-1,3,3-trimethylindol-1-ium chloride Traditional Name: 2-[(E)-2-(3,5-diphenyl-2-pyrazolin-1-yl)vinyl]-1,3,3-trimethyl-indol-1-ium chloride Formula: C28H28ClN3 MolecularWeight: 441.99502

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=CN3C(CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C)C.[Cl-]

Isomeric SMILES

CC1(C2=CC=CC=C2[N+](=C1/C=C/N3C(CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C)C.[Cl-]

InChI

InChI=1S/C28H28N3.ClH/c1-28(2)23-16-10-11-17-25(23)30(3)27(28)18-19-31-26(22-14-8-5-9-15-22)20-24(29-31)21-12-6-4-7-13-21;/h4-19,26H,20H2,1-3H3;1H/q+1;/p-1