1'-[(4,5-dimethoxy-2-nitro-phenyl)methyl]spiro[indene-1,4'-piperidin-1-ium]

Systemtic Name: 1'-[(4,5-dimethoxy-2-nitro-phenyl)methyl]spiro[indene-1,4'-piperidin-1-ium] Openeye Name: 1'-[(4,5-dimethoxy-2-nitro-phenyl)methyl]spiro[indene-1,4'-piperidin-1-ium] CAS Name: 1'-[(4,5-dimethoxy-2-nitrophenyl)methyl]spiro[indene-1,4'-piperidin-1-ium] IUPAC Name: 1'-[(4,5-dimethoxy-2-nitrophenyl)methyl]spiro[indene-1,4'-piperidin-1-ium] Traditional Name: 1'-(4,5-dimethoxy-2-nitro-benzyl)spiro[indene-1,4'-piperidin-1-ium] Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CCC3(CC2)C=CC4=CC=CC=C34)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CCC3(CC2)C=CC4=CC=CC=C34)[N+](=O)[O-])OC

InChI

InChI=1S/C22H24N2O4/c1-27-20-13-17(19(24(25)26)14-21(20)28-2)15-23-11-9-22(10-12-23)8-7-16-5-3-4-6-18(16)22/h3-8,13-14H,9-12,15H2,1-2H3/p+1