tert-butyl-[(3,4-dimethylphenyl)amino]-(9-ethylcarbazol-3-yl)-pyrrolidin-1-yl-phosphanium chloride

Systemtic Name: tert-butyl-[(3,4-dimethylphenyl)amino]-(9-ethylcarbazol-3-yl)-pyrrolidin-1-yl-phosphanium chloride Openeye Name: tert-butyl-(3,4-dimethylanilino)-(9-ethylcarbazol-3-yl)-pyrrolidin-1-yl-phosphonium chloride CAS Name: tert-butyl-(3,4-dimethylanilino)-(9-ethyl-3-carbazolyl)-(1-pyrrolidinyl)phosphonium chloride IUPAC Name: tert-butyl-(3,4-dimethylanilino)-(9-ethylcarbazol-3-yl)-pyrrolidin-1-ylphosphanium chloride Traditional Name: tert-butyl-(3,4-dimethylanilino)-(9-ethylcarbazol-3-yl)-pyrrolidino-phosphonium chloride Formula: C30H39ClN3P MolecularWeight: 508.077521

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)[P+](C(C)(C)C)(NC3=CC(=C(C=C3)C)C)N4CCCC4)C5=CC=CC=C51.[Cl-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)[P+](C(C)(C)C)(NC3=CC(=C(C=C3)C)C)N4CCCC4)C5=CC=CC=C51.[Cl-]

InChI

InChI=1S/C30H39N3P.ClH/c1-7-33-28-13-9-8-12-26(28)27-21-25(16-17-29(27)33)34(30(4,5)6,32-18-10-11-19-32)31-24-15-14-22(2)23(3)20-24;/h8-9,12-17,20-21,31H,7,10-11,18-19H2,1-6H3;1H/q+1;/p-1