[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C19H28N3O5+ MolecularWeight: 378.44272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)C[NH+]2CCOCC2

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)C[NH+]2CCOCC2

InChI

InChI=1S/C19H27N3O5/c1-3-14(2)20-19(25)21-17(23)13-27-18(24)16-6-4-15(5-7-16)12-22-8-10-26-11-9-22/h4-7,14H,3,8-13H2,1-2H3,(H2,20,21,23,25)/p+1/t14-/m0/s1