2-adamantyl-[(4,5-dimethoxy-2-nitro-phenyl)methyl]azanium

Systemtic Name: 2-adamantyl-[(4,5-dimethoxy-2-nitro-phenyl)methyl]azanium Openeye Name: 2-adamantyl-[(4,5-dimethoxy-2-nitro-phenyl)methyl]ammonium CAS Name: 2-adamantyl-[(4,5-dimethoxy-2-nitrophenyl)methyl]ammonium IUPAC Name: 2-adamantyl-[(4,5-dimethoxy-2-nitrophenyl)methyl]azanium Traditional Name: 2-adamantyl-(4,5-dimethoxy-2-nitro-benzyl)ammonium Formula: C19H27N2O4+ MolecularWeight: 347.42868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)[N+](=O)[O-])OC

InChI

InChI=1S/C19H26N2O4/c1-24-17-8-15(16(21(22)23)9-18(17)25-2)10-20-19-13-4-11-3-12(6-13)7-14(19)5-11/h8-9,11-14,19-20H,3-7,10H2,1-2H3/p+1