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

Systemtic Name: cycloheptyl-[(4,5-dimethoxy-2-nitro-phenyl)methyl]azanium Openeye Name: cycloheptyl-[(4,5-dimethoxy-2-nitro-phenyl)methyl]ammonium CAS Name: cycloheptyl-[(4,5-dimethoxy-2-nitrophenyl)methyl]ammonium IUPAC Name: cycloheptyl-[(4,5-dimethoxy-2-nitrophenyl)methyl]azanium Traditional Name: cycloheptyl-(4,5-dimethoxy-2-nitro-benzyl)ammonium Formula: C16H25N2O4+ MolecularWeight: 309.3807

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH2+]C2CCCCCC2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH2+]C2CCCCCC2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H24N2O4/c1-21-15-9-12(14(18(19)20)10-16(15)22-2)11-17-13-7-5-3-4-6-8-13/h9-10,13,17H,3-8,11H2,1-2H3/p+1