[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium Openeye Name: [(1R)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl]-ethyl-(2-thienylmethyl)ammonium CAS Name: [(2R)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium Traditional Name: [(1R)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl]-ethyl-(2-thenyl)ammonium Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)C(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC[NH+](CC1=CC=CS1)[C@H](C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H31N3O2S/c1-3-24(13-18-5-4-6-27-18)14(2)19(25)22-20(26)23-21-10-15-7-16(11-21)9-17(8-15)12-21/h4-6,14-17H,3,7-13H2,1-2H3,(H2,22,23,25,26)/p+1/t14-,15?,16?,17?,21?/m1/s1