2-[6-[[(4-diazoniophenyl)-(tritiomethyl)carbamoyl]amino]hexanoyloxy]ethyl-trimethyl-azanium

Systemtic Name: 2-[6-[[(4-diazoniophenyl)-(tritiomethyl)carbamoyl]amino]hexanoyloxy]ethyl-trimethyl-azanium Openeye Name: 2-[6-[[(4-diazoniophenyl)-(tritiomethyl)carbamoyl]amino]hexanoyloxy]ethyl-trimethyl-ammonium CAS Name: 2-[6-[[[4-diazonio-N-(tritiomethyl)anilino]-oxomethyl]amino]-1-oxohexoxy]ethyl-trimethylammonium IUPAC Name: 2-[6-[[(4-diazoniophenyl)-(tritiomethyl)carbamoyl]amino]hexanoyloxy]ethyl-trimethylazanium Traditional Name: 2-[6-[[(4-diazoniophenyl)-(tritiomethyl)carbamoyl]amino]hexanoyloxy]ethyl-trimethyl-ammonium Formula: C19H31N5O3+2 MolecularWeight: 379.489249

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)[N+]#N)C(=O)NCCCCCC(=O)OCC[N+](C)(C)C

Isomeric SMILES

[3H]CN(C1=CC=C(C=C1)[N+]#N)C(=O)NCCCCCC(=O)OCC[N+](C)(C)C

InChI

InChI=1S/C19H30N5O3/c1-23(17-11-9-16(22-20)10-12-17)19(26)21-13-7-5-6-8-18(25)27-15-14-24(2,3)4/h9-12H,5-8,13-15H2,1-4H3/q+1/p+1/i1T