[2-oxidanylidene-2-(phenylcarbamoylamino)ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(phenylcarbamoylamino)ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [2-[[anilino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [2-keto-2-(phenylcarbamoylamino)ethyl] ester Formula: C21H24N3O5+ MolecularWeight: 398.43236

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O5/c25-19(23-21(27)22-18-4-2-1-3-5-18)15-29-20(26)17-8-6-16(7-9-17)14-24-10-12-28-13-11-24/h1-9H,10-15H2,(H2,22,23,25,27)/p+1