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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: [2-(1-adamantylmethylamino)-2-oxoethyl]-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: [2-(1-adamantylmethylamino)-2-keto-ethyl]-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C23H34N3O2S+ MolecularWeight: 416.59996

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NCC12CC3CC(C1)CC(C3)C2)CC(=O)NC4=CC=CC=C4SC

Isomeric SMILES

C[NH+](CC(=O)NCC12CC3CC(C1)CC(C3)C2)CC(=O)NC4=CC=CC=C4SC

InChI

InChI=1S/C23H33N3O2S/c1-26(14-22(28)25-19-5-3-4-6-20(19)29-2)13-21(27)24-15-23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,16-18H,7-15H2,1-2H3,(H,24,27)(H,25,28)/p+1