3-(2-methoxy-5-nitro-phenoxy)propyl-propyl-azanium

Systemtic Name: 3-(2-methoxy-5-nitro-phenoxy)propyl-propyl-azanium Openeye Name: 3-(2-methoxy-5-nitro-phenoxy)propyl-propyl-ammonium CAS Name: 3-(2-methoxy-5-nitrophenoxy)propyl-propylammonium IUPAC Name: 3-(2-methoxy-5-nitrophenoxy)propyl-propylazanium Traditional Name: 3-(2-methoxy-5-nitro-phenoxy)propyl-propyl-ammonium Formula: C13H21N2O4+ MolecularWeight: 269.31684

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CCCOC1=C(C=CC(=C1)[N+](=O)[O-])OC

Isomeric SMILES

CCC[NH2+]CCCOC1=C(C=CC(=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C13H20N2O4/c1-3-7-14-8-4-9-19-13-10-11(15(16)17)5-6-12(13)18-2/h5-6,10,14H,3-4,7-9H2,1-2H3/p+1