(5-bromanyl-2-methoxy-phenyl)methyl-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-methyl-azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-methyl-ammonium Formula: C15H20BrN4O3+ MolecularWeight: 384.2483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+](C)CC2=C(C=CC(=C2)Br)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[NH+](C)CC2=C(C=CC(=C2)Br)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C15H19BrN4O3/c1-10-15(20(21)22)11(2)19(17-10)9-18(3)8-12-7-13(16)5-6-14(12)23-4/h5-7H,8-9H2,1-4H3/p+1