[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-[(3-nitrophenyl)methylidene]azanium

Systemtic Name: [1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-[(3-nitrophenyl)methylidene]azanium Openeye Name: [1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-[(3-nitrophenyl)methylene]ammonium CAS Name: [1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-[(3-nitrophenyl)methylidene]ammonium IUPAC Name: [1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-[(3-nitrophenyl)methylidene]azanium Traditional Name: [1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-(3-nitrobenzylidene)ammonium Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCCC2)C[NH+]=CC3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCCC2)C[NH+]=CC3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N2O4/c1-26-19-9-8-17(13-20(19)27-2)21(10-3-4-11-21)15-22-14-16-6-5-7-18(12-16)23(24)25/h5-9,12-14H,3-4,10-11,15H2,1-2H3/p+1