(4-dodecyl-2-nitro-phenyl)-methyl-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]imino-azanium

Systemtic Name: (4-dodecyl-2-nitro-phenyl)-methyl-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]imino-azanium Openeye Name: [4-[2-(tert-butoxycarbonylamino)propyl]phenyl]imino-(4-dodecyl-2-nitro-phenyl)-methyl-ammonium CAS Name: (4-dodecyl-2-nitrophenyl)-methyl-[4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]phenyl]iminoammonium IUPAC Name: (4-dodecyl-2-nitrophenyl)-methyl-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]iminoazanium Traditional Name: [4-[2-(tert-butoxycarbonylamino)propyl]phenyl]imino-(4-lauryl-2-nitro-phenyl)-methyl-ammonium Formula: C33H51N4O4+ MolecularWeight: 567.78244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C=C1)[N+](=NC2=CC=C(C=C2)CC(C)NC(=O)OC(C)(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C=C1)[N+](=NC2=CC=C(C=C2)CC(C)NC(=O)OC(C)(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C33H50N4O4/c1-7-8-9-10-11-12-13-14-15-16-17-27-20-23-30(31(25-27)37(39)40)36(6)35-29-21-18-28(19-22-29)24-26(2)34-32(38)41-33(3,4)5/h18-23,25-26H,7-17,24H2,1-6H3/p+1