3-[[[3-[diethyl-(phenylmethyl)azaniumyl]propylamino]-(4-nitrophenoxy)phosphoryl]amino]propyl-diethyl-(phenylmethyl)azanium

Systemtic Name: 3-[[[3-[diethyl-(phenylmethyl)azaniumyl]propylamino]-(4-nitrophenoxy)phosphoryl]amino]propyl-diethyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[[3-[benzyl(diethyl)ammonio]propylamino]-(4-nitrophenoxy)phosphoryl]amino]propyl]-diethyl-ammonium CAS Name: 3-[[[3-[diethyl-(phenylmethyl)ammonio]propylamino]-(4-nitrophenoxy)phosphoryl]amino]propyl-diethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[[3-[benzyl(diethyl)azaniumyl]propylamino]-(4-nitrophenoxy)phosphoryl]amino]propyl]-diethylazanium Traditional Name: benzyl-[3-[[[3-[benzyl(diethyl)ammonio]propylamino]-(4-nitrophenoxy)phosphoryl]amino]propyl]-diethyl-ammonium Formula: C34H52N5O4P+2 MolecularWeight: 625.781541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCCNP(=O)(NCCC[N+](CC)(CC)CC1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC[N+](CC)(CCCNP(=O)(NCCC[N+](CC)(CC)CC1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C34H52N5O4P/c1-5-38(6-2,29-31-17-11-9-12-18-31)27-15-25-35-44(42,43-34-23-21-33(22-24-34)37(40)41)36-26-16-28-39(7-3,8-4)30-32-19-13-10-14-20-32/h9-14,17-24H,5-8,15-16,25-30H2,1-4H3,(H2,35,36,42)/q+2