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

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

Systemtic Name:3-[[[3-[dimethyl-(phenylmethyl)azaniumyl]propylamino]-(4-nitrophenoxy)phosphoryl]amino]propyl-dimethyl-(phenylmethyl)azanium
Openeye Name:benzyl-[3-[[[3-[benzyl(dimethyl)ammonio]propylamino]-(4-nitrophenoxy)phosphoryl]amino]propyl]-dimethyl-ammonium
CAS Name:3-[[[3-[dimethyl-(phenylmethyl)ammonio]propylamino]-(4-nitrophenoxy)phosphoryl]amino]propyl-dimethyl-(phenylmethyl)ammonium
IUPAC Name:benzyl-[3-[[[3-[benzyl(dimethyl)azaniumyl]propylamino]-(4-nitrophenoxy)phosphoryl]amino]propyl]-dimethylazanium
Traditional Name:benzyl-[3-[[[3-[benzyl(dimethyl)ammonio]propylamino]-(4-nitrophenoxy)phosphoryl]amino]propyl]-dimethyl-ammonium
Formula: C30H44N5O4P+2
MolecularWeight: 569.675221
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C30H44N5O4P/c1-34(2,25-27-13-7-5-8-14-27)23-11-21-31-40(38,39-30-19-17-29(18-20-30)33(36)37)32-22-12-24-35(3,4)26-28-15-9-6-10-16-28/h5-10,13-20H,11-12,21-26H2,1-4H3,(H2,31,32,38)/q+2


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