[(1S)-2-[2-(1-adamantylsulfanyl)ethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[2-(1-adamantylsulfanyl)ethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-(1-adamantylsulfanyl)acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-(1-adamantylthio)-1-oxoethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-(1-adamantylsulfanyl)acetyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-(1-adamantylthio)acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C22H33N2OS+ MolecularWeight: 373.57522

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CSC12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CSC12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4

InChI

InChI=1S/C22H32N2OS/c1-24(2)20(19-6-4-3-5-7-19)14-23-21(25)15-26-22-11-16-8-17(12-22)10-18(9-16)13-22/h3-7,16-18,20H,8-15H2,1-2H3,(H,23,25)/p+1/t16?,17?,18?,20-,22?/m1/s1