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

Systemtic Name: 1-ethylindole-6-carbonitrile; (2-ethylphenyl)-diphenyl-phosphanium; bromide Openeye Name: 1-ethylindole-6-carbonitrile; (2-ethylphenyl)-diphenyl-phosphonium; bromide CAS Name: 1-ethyl-6-indolecarbonitrile; (2-ethylphenyl)-diphenylphosphonium; bromide IUPAC Name: 1-ethylindole-6-carbonitrile; (2-ethylphenyl)-diphenylphosphanium; bromide Traditional Name: 1-ethylindole-6-carbonitrile; (2-ethylphenyl)-diphenyl-phosphonium; bromide Formula: C31H30BrN2P MolecularWeight: 541.461061

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1[PH+](C2=CC=CC=C2)C3=CC=CC=C3.CCN1C=CC2=C1C=C(C=C2)C#N.[Br-]

Isomeric SMILES

CCC1=CC=CC=C1[PH+](C2=CC=CC=C2)C3=CC=CC=C3.CCN1C=CC2=C1C=C(C=C2)C#N.[Br-]

InChI

InChI=1S/C20H19P.C11H10N2.BrH/c1-2-17-11-9-10-16-20(17)21(18-12-5-3-6-13-18)19-14-7-4-8-15-19;1-2-13-6-5-10-4-3-9(8-12)7-11(10)13;/h3-16H,2H2,1H3;3-7H,2H2,1H3;1H