[butyl-[(4-nitrophenyl)methyl]amino]-triphenyl-phosphanium bromide

Systemtic Name: [butyl-[(4-nitrophenyl)methyl]amino]-triphenyl-phosphanium bromide Openeye Name: [butyl-[(4-nitrophenyl)methyl]amino]-triphenyl-phosphonium bromide CAS Name: [butyl-[(4-nitrophenyl)methyl]amino]-triphenylphosphonium bromide IUPAC Name: [butyl-[(4-nitrophenyl)methyl]amino]-triphenylphosphanium bromide Traditional Name: [butyl-(4-nitrobenzyl)amino]-triphenyl-phosphonium bromide Formula: C29H30BrN2O2P MolecularWeight: 549.438461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)[N+](=O)[O-])[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)[N+](=O)[O-])[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C29H30N2O2P.BrH/c1-2-3-23-30(24-25-19-21-26(22-20-25)31(32)33)34(27-13-7-4-8-14-27,28-15-9-5-10-16-28)29-17-11-6-12-18-29;/h4-22H,2-3,23-24H2,1H3;1H/q+1;/p-1