[(2S)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-[(5-chloranylthiophen-2-yl)methyl]-methyl-azanium

Systemtic Name: [(2S)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-[(5-chloranylthiophen-2-yl)methyl]-methyl-azanium Openeye Name: [(1S)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl]-[(5-chloro-2-thienyl)methyl]-methyl-ammonium CAS Name: [(2S)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-[(5-chloro-2-thiophenyl)methyl]-methylammonium IUPAC Name: [(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium Traditional Name: [(1S)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl]-[(5-chloro-2-thienyl)methyl]-methyl-ammonium Formula: C20H29ClN3O2S+ MolecularWeight: 410.98116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+](C)CC4=CC=C(S4)Cl

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+](C)CC4=CC=C(S4)Cl

InChI

InChI=1S/C20H28ClN3O2S/c1-12(24(2)11-16-3-4-17(21)27-16)18(25)22-19(26)23-20-8-13-5-14(9-20)7-15(6-13)10-20/h3-4,12-15H,5-11H2,1-2H3,(H2,22,23,25,26)/p+1/t12-,13?,14?,15?,20?/m0/s1