tert-butyl-[(3,4-dimethylphenyl)amino]-pyridin-4-yl-pyrrolidin-1-yl-phosphanium bromide

Systemtic Name: tert-butyl-[(3,4-dimethylphenyl)amino]-pyridin-4-yl-pyrrolidin-1-yl-phosphanium bromide Openeye Name: tert-butyl-(3,4-dimethylanilino)-(4-pyridyl)-pyrrolidin-1-yl-phosphonium bromide CAS Name: tert-butyl-(3,4-dimethylanilino)-pyridin-4-yl-(1-pyrrolidinyl)phosphonium bromide IUPAC Name: tert-butyl-(3,4-dimethylanilino)-pyridin-4-yl-pyrrolidin-1-ylphosphanium bromide Traditional Name: tert-butyl-(3,4-dimethylanilino)-(4-pyridyl)-pyrrolidino-phosphonium bromide Formula: C21H31BrN3P MolecularWeight: 436.368701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N[P+](C2=CC=NC=C2)(C(C)(C)C)N3CCCC3)C.[Br-]

Isomeric SMILES

CC1=C(C=C(C=C1)N[P+](C2=CC=NC=C2)(C(C)(C)C)N3CCCC3)C.[Br-]

InChI

InChI=1S/C21H31N3P.BrH/c1-17-8-9-19(16-18(17)2)23-25(21(3,4)5,24-14-6-7-15-24)20-10-12-22-13-11-20;/h8-13,16,23H,6-7,14-15H2,1-5H3;1H/q+1;/p-1