1-(2-bromoethyl)-2-oxidanidyl-3-propyl-2H-1,3,2-benzodiazaphosphinin-2-ium-4-one

Systemtic Name: 1-(2-bromoethyl)-2-oxidanidyl-3-propyl-2H-1,3,2-benzodiazaphosphinin-2-ium-4-one Openeye Name: 1-(2-bromoethyl)-2-oxido-3-propyl-2H-1,3,2-benzodiazaphosphinin-2-ium-4-one CAS Name: 1-(2-bromoethyl)-2-oxido-3-propyl-2H-1,3,2-benzodiazaphosphorin-2-ium-4-one IUPAC Name: 1-(2-bromoethyl)-2-oxido-3-propyl-2H-1,3,2-benzodiazaphosphinin-2-ium-4-one Traditional Name: 1-(2-bromoethyl)-2-oxido-3-propyl-2H-1,3,2-benzodiazaphosphorin-2-ium-4-one Formula: C12H16BrN2O2P MolecularWeight: 331.145401

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N([PH+]1[O-])CCBr

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N([PH+]1[O-])CCBr

InChI

InChI=1S/C12H16BrN2O2P/c1-2-8-15-12(16)10-5-3-4-6-11(10)14(9-7-13)18(15)17/h3-6,18H,2,7-9H2,1H3