[4-(4-acetyloxyphenyl)phenyl]methylidene-[4-(1-adamantyl)-1,3-thiazol-2-yl]azanium

Systemtic Name: [4-(4-acetyloxyphenyl)phenyl]methylidene-[4-(1-adamantyl)-1,3-thiazol-2-yl]azanium Openeye Name: [4-(4-acetoxyphenyl)phenyl]methylene-[4-(1-adamantyl)thiazol-2-yl]ammonium CAS Name: [4-(4-acetyloxyphenyl)phenyl]methylidene-[4-(1-adamantyl)-2-thiazolyl]ammonium IUPAC Name: [4-(4-acetyloxyphenyl)phenyl]methylidene-[4-(1-adamantyl)-1,3-thiazol-2-yl]azanium Traditional Name: [4-(4-acetoxyphenyl)benzylidene]-[4-(1-adamantyl)thiazol-2-yl]ammonium Formula: C28H29N2O2S+ MolecularWeight: 457.60706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C=[NH+]C3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C=[NH+]C3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H28N2O2S/c1-18(31)32-25-8-6-24(7-9-25)23-4-2-19(3-5-23)16-29-27-30-26(17-33-27)28-13-20-10-21(14-28)12-22(11-20)15-28/h2-9,16-17,20-22H,10-15H2,1H3/p+1