(4,5-dimethoxy-2-nitro-phenyl)methyl-propan-2-yl-azanium

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)methyl-propan-2-yl-azanium Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)methyl-isopropyl-ammonium CAS Name: (4,5-dimethoxy-2-nitrophenyl)methyl-propan-2-ylammonium IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methyl-propan-2-ylazanium Traditional Name: (4,5-dimethoxy-2-nitro-benzyl)-isopropyl-ammonium Formula: C12H19N2O4+ MolecularWeight: 255.29026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC1=CC(=C(C=C1[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(C)[NH2+]CC1=CC(=C(C=C1[N+](=O)[O-])OC)OC

InChI

InChI=1S/C12H18N2O4/c1-8(2)13-7-9-5-11(17-3)12(18-4)6-10(9)14(15)16/h5-6,8,13H,7H2,1-4H3/p+1