[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-azanium

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-azanium Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl]-(1,3-benzothiazol-2-ylmethyl)-methylammonium IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl]-(1,3-benzothiazol-2-ylmethyl)-methylazanium Traditional Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C24H31N4OS+ MolecularWeight: 423.59414

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N(CCC#N)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N(CCC#N)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30N4OS/c1-27(15-22-26-20-5-2-3-6-21(20)30-22)16-23(29)28(8-4-7-25)24-12-17-9-18(13-24)11-19(10-17)14-24/h2-3,5-6,17-19H,4,8-16H2,1H3/p+1