[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-azanium

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-azanium Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: [2-(1-adamantylmethylamino)-2-oxoethyl]-(1,3-benzothiazol-2-ylmethyl)-methylammonium IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl]-(1,3-benzothiazol-2-ylmethyl)-methylazanium Traditional Name: [2-(1-adamantylmethylamino)-2-keto-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C22H30N3OS+ MolecularWeight: 384.5581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N3OS/c1-25(13-21-24-18-4-2-3-5-19(18)27-21)12-20(26)23-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h2-5,15-17H,6-14H2,1H3,(H,23,26)/p+1