(phenylmethyl) N-[(2R)-1-[[4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2R)-1-[[4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1R)-2-[[4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]amino]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2R)-1-[[4-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]amino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2R)-1-[[4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1R)-2-[[4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]amino]-2-keto-1-methyl-ethyl]carbamic acid benzyl ester Formula: C22H31N4O3S+ MolecularWeight: 431.57154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CSC(=N2)NC(=O)C(C)NC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC2=CSC(=N2)NC(=O)[C@@H](C)NC(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C22H30N4O3S/c1-15-9-16(2)11-26(10-15)12-19-14-30-21(24-19)25-20(27)17(3)23-22(28)29-13-18-7-5-4-6-8-18/h4-8,14-17H,9-13H2,1-3H3,(H,23,28)(H,24,25,27)/p+1/t15-,16-,17+/m0/s1