[2-[2-(2-adamantylamino)-2-oxidanylidene-ethoxy]-5-(1,3-benzothiazol-2-yl)phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[2-(2-adamantylamino)-2-oxidanylidene-ethoxy]-5-(1,3-benzothiazol-2-yl)phenyl]methyl-dimethyl-azanium Openeye Name: [2-[2-(2-adamantylamino)-2-oxo-ethoxy]-5-(1,3-benzothiazol-2-yl)phenyl]methyl-dimethyl-ammonium CAS Name: [2-[2-(2-adamantylamino)-2-oxoethoxy]-5-(1,3-benzothiazol-2-yl)phenyl]methyl-dimethylammonium IUPAC Name: [2-[2-(2-adamantylamino)-2-oxoethoxy]-5-(1,3-benzothiazol-2-yl)phenyl]methyl-dimethylazanium Traditional Name: [2-[2-(2-adamantylamino)-2-keto-ethoxy]-5-(1,3-benzothiazol-2-yl)benzyl]-dimethyl-ammonium Formula: C28H34N3O2S+ MolecularWeight: 476.65346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OCC(=O)NC4C5CC6CC(C5)CC4C6

Isomeric SMILES

C[NH+](C)CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OCC(=O)NC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C28H33N3O2S/c1-31(2)15-22-14-19(28-29-23-5-3-4-6-25(23)34-28)7-8-24(22)33-16-26(32)30-27-20-10-17-9-18(12-20)13-21(27)11-17/h3-8,14,17-18,20-21,27H,9-13,15-16H2,1-2H3,(H,30,32)/p+1