[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl]-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: [2-(1-adamantylamino)-2-oxoethyl]-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: [2-(1-adamantylamino)-2-keto-ethyl]-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C22H32N3O2S+ MolecularWeight: 402.57338

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1=CC=CC=C1SC)CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+](CC(=O)NC1=CC=CC=C1SC)CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H31N3O2S/c1-25(13-20(26)23-18-5-3-4-6-19(18)28-2)14-21(27)24-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,15-17H,7-14H2,1-2H3,(H,23,26)(H,24,27)/p+1