(4,5-dimethoxy-2-nitro-phenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)methyl-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: (4,5-dimethoxy-2-nitrophenyl)methyl-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: (4,5-dimethoxy-2-nitro-benzyl)-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C17H22N3O4+ MolecularWeight: 332.37428

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C17H21N3O4/c1-19(9-7-14-6-4-5-8-18-14)12-13-10-16(23-2)17(24-3)11-15(13)20(21)22/h4-6,8,10-11H,7,9,12H2,1-3H3/p+1