1-adamantyl-[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl]ammonium Formula: C20H28N3O2S+ MolecularWeight: 374.52022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC(=O)NC4=CC=CC=C4SCC(=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC(=O)NC4=CC=CC=C4SCC(=O)N

InChI

InChI=1S/C20H27N3O2S/c21-18(24)12-26-17-4-2-1-3-16(17)23-19(25)11-22-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15,22H,5-12H2,(H2,21,24)(H,23,25)/p+1