[3-carboxy-3-chloranyl-7-methyl-4-oxidanylidene-2-phenylmethoxy-5-(phenylmethoxycarbonylamino)octyl]-trimethyl-azanium

Systemtic Name: [3-carboxy-3-chloranyl-7-methyl-4-oxidanylidene-2-phenylmethoxy-5-(phenylmethoxycarbonylamino)octyl]-trimethyl-azanium Openeye Name: [2-benzyloxy-5-(benzyloxycarbonylamino)-3-carboxy-3-chloro-7-methyl-4-oxo-octyl]-trimethyl-ammonium CAS Name: [3-carboxy-3-chloro-7-methyl-4-oxo-2-phenylmethoxy-5-(phenylmethoxycarbonylamino)octyl]-trimethylammonium IUPAC Name: [3-carboxy-3-chloro-7-methyl-4-oxo-2-phenylmethoxy-5-(phenylmethoxycarbonylamino)octyl]-trimethylazanium Traditional Name: [2-benzoxy-5-(benzyloxycarbonylamino)-3-carboxy-3-chloro-4-keto-7-methyl-octyl]-trimethyl-ammonium Formula: C28H38ClN2O6+ MolecularWeight: 534.06412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(C(C[N+](C)(C)C)OCC1=CC=CC=C1)(C(=O)O)Cl)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)C(C(C[N+](C)(C)C)OCC1=CC=CC=C1)(C(=O)O)Cl)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H37ClN2O6/c1-20(2)16-23(30-27(35)37-19-22-14-10-7-11-15-22)25(32)28(29,26(33)34)24(17-31(3,4)5)36-18-21-12-8-6-9-13-21/h6-15,20,23-24H,16-19H2,1-5H3,(H-,30,33,34,35)/p+1