[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium

Systemtic Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium Openeye Name: [(1R)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: [(2R)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-methyl-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: [(1R)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+](C)C(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(SC=C1)C[NH+](C)[C@H](C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

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