trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-[(4-phenylmethoxyphenyl)carbamoylamino]butyl]azanium

Systemtic Name: trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-[(4-phenylmethoxyphenyl)carbamoylamino]butyl]azanium Openeye Name: [(2R)-2-[(4-benzyloxyphenyl)carbamoylamino]-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [(2R)-4-hydroxy-4-oxo-2-[[oxo-(4-phenylmethoxyanilino)methyl]amino]butyl]-trimethylammonium IUPAC Name: [(2R)-4-hydroxy-4-oxo-2-[(4-phenylmethoxyphenyl)carbamoylamino]butyl]-trimethylazanium Traditional Name: [(2R)-2-[(4-benzoxyphenyl)carbamoylamino]-4-hydroxy-4-keto-butyl]-trimethyl-ammonium Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)NC(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)O)NC(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O4/c1-24(2,3)14-18(13-20(25)26)23-21(27)22-17-9-11-19(12-10-17)28-15-16-7-5-4-6-8-16/h4-12,18H,13-15H2,1-3H3,(H2-,22,23,25,26,27)/p+1/t18-/m1/s1