[8-azanyl-2-(2-azanyl-2-phenyl-ethyl)-4-isocyanato-2-methanoyl-3-oxidanylidene-octoxy]-methoxy-oxidanylidene-phosphanium

Systemtic Name: [8-azanyl-2-(2-azanyl-2-phenyl-ethyl)-4-isocyanato-2-methanoyl-3-oxidanylidene-octoxy]-methoxy-oxidanylidene-phosphanium Openeye Name: [8-amino-2-(2-amino-2-phenyl-ethyl)-2-formyl-4-isocyanato-3-oxo-octoxy]-methoxy-oxo-phosphonium CAS Name: [8-amino-2-(2-amino-2-phenylethyl)-2-formyl-4-isocyanato-3-oxooctoxy]-methoxy-oxophosphonium IUPAC Name: [8-amino-2-(2-amino-2-phenylethyl)-2-formyl-4-isocyanato-3-oxooctoxy]-methoxy-oxophosphanium Traditional Name: [8-amino-2-(2-amino-2-phenyl-ethyl)-2-formyl-4-isocyanato-3-keto-octoxy]-keto-methoxy-phosphonium Formula: C19H27N3O6P+ MolecularWeight: 424.407941

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Descriptors Computed from Structure

Canonical SMILES:

CO[P+](=O)OCC(CC(C1=CC=CC=C1)N)(C=O)C(=O)C(CCCCN)N=C=O

Isomeric SMILES

CO[P+](=O)OCC(CC(C1=CC=CC=C1)N)(C=O)C(=O)C(CCCCN)N=C=O

InChI

InChI=1S/C19H27N3O6P/c1-27-29(26)28-13-19(12-23,11-16(21)15-7-3-2-4-8-15)18(25)17(22-14-24)9-5-6-10-20/h2-4,7-8,12,16-17H,5-6,9-11,13,20-21H2,1H3/q+1