[(2S)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [(2S)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [(1S)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [(2S)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [(1S)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H32N3O5+ MolecularWeight: 418.50658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C22H31N3O5/c1-16(20(26)24-22(28)23-19-5-3-2-4-6-19)30-21(27)18-9-7-17(8-10-18)15-25-11-13-29-14-12-25/h7-10,16,19H,2-6,11-15H2,1H3,(H2,23,24,26,28)/p+1/t16-/m0/s1