1-ethylindole-6-carbonitrile; (2-methylphenyl)-diphenyl-phosphanium; bromide

Systemtic Name: 1-ethylindole-6-carbonitrile; (2-methylphenyl)-diphenyl-phosphanium; bromide Openeye Name: 1-ethylindole-6-carbonitrile; o-tolyl(diphenyl)phosphonium; bromide CAS Name: 1-ethyl-6-indolecarbonitrile; (2-methylphenyl)-diphenylphosphonium; bromide IUPAC Name: 1-ethylindole-6-carbonitrile; (2-methylphenyl)-diphenylphosphanium; bromide Traditional Name: 1-ethylindole-6-carbonitrile; o-tolyl(diphenyl)phosphonium; bromide Formula: C30H28BrN2P MolecularWeight: 527.434481

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC2=C1C=C(C=C2)C#N.CC1=CC=CC=C1[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CCN1C=CC2=C1C=C(C=C2)C#N.CC1=CC=CC=C1[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C19H17P.C11H10N2.BrH/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18;1-2-13-6-5-10-4-3-9(8-12)7-11(10)13;/h2-15H,1H3;3-7H,2H2,1H3;1H