4-(2-chloroethyl)-3,3-bis(diethylamino)-2H-2,4,3-benzodiazaphosphepin-3-ium-1,5-dione

Systemtic Name: 4-(2-chloroethyl)-3,3-bis(diethylamino)-2H-2,4,3-benzodiazaphosphepin-3-ium-1,5-dione Openeye Name: 4-(2-chloroethyl)-3,3-bis(diethylamino)-2H-2,4,3-benzodiazaphosphepin-3-ium-1,5-dione CAS Name: 4-(2-chloroethyl)-3,3-bis(diethylamino)-2H-2,4,3-benzodiazaphosphepin-3-ium-1,5-dione IUPAC Name: 4-(2-chloroethyl)-3,3-bis(diethylamino)-2H-2,4,3-benzodiazaphosphepin-3-ium-1,5-dione Traditional Name: 4-(2-chloroethyl)-3,3-bis(diethylamino)-2H-2,4,3-benzodiazaphosphepin-3-ium-1,5-quinone Formula: C18H29ClN4O2P+ MolecularWeight: 399.875221

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)[P+]1(NC(=O)C2=CC=CC=C2C(=O)N1CCCl)N(CC)CC

Isomeric SMILES

CCN(CC)[P+]1(NC(=O)C2=CC=CC=C2C(=O)N1CCCl)N(CC)CC

InChI

InChI=1S/C18H28ClN4O2P/c1-5-21(6-2)26(22(7-3)8-4)20-17(24)15-11-9-10-12-16(15)18(25)23(26)14-13-19/h9-12H,5-8,13-14H2,1-4H3/p+1