cyclododecyl-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium

Systemtic Name: cyclododecyl-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium Openeye Name: cyclododecyl-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium CAS Name: cyclododecyl-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium IUPAC Name: cyclododecyl-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]azanium Traditional Name: cyclododecyl-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium Formula: C23H36N3O3+ MolecularWeight: 402.55024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)C[NH2+]C3CCCCCCCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)C[NH2+]C3CCCCCCCCCCC3)OC

InChI

InChI=1S/C23H35N3O3/c1-27-20-15-14-18(16-21(20)28-2)23-25-22(29-26-23)17-24-19-12-10-8-6-4-3-5-7-9-11-13-19/h14-16,19,24H,3-13,17H2,1-2H3/p+1