1-adamantyl-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium

Systemtic Name: 1-adamantyl-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium Openeye Name: 1-adamantyl-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl]ammonium CAS Name: 1-adamantyl-[[2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium Traditional Name: 1-adamantyl-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl]ammonium Formula: C22H29N2O2S+ MolecularWeight: 385.54286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C[NH2+]C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C[NH2+]C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C22H28N2O2S/c1-25-19-4-3-17(8-20(19)26-2)21-24-18(13-27-21)12-23-22-9-14-5-15(10-22)7-16(6-14)11-22/h3-4,8,13-16,23H,5-7,9-12H2,1-2H3/p+1