N,N-bis(2-chloroethyl)-4-(4-oxidanyl-4-oxidanylidene-butyl)benzeneamine oxide hydrochloride

Systemtic Name: N,N-bis(2-chloroethyl)-4-(4-oxidanyl-4-oxidanylidene-butyl)benzeneamine oxide hydrochloride Openeye Name: N,N-bis(2-chloroethyl)-4-(4-hydroxy-4-oxo-butyl)benzeneamine oxide hydrochloride CAS Name: N,N-bis(2-chloroethyl)-4-(4-hydroxy-4-oxobutyl)benzeneamine oxide hydrochloride IUPAC Name: N,N-bis(2-chloroethyl)-4-(4-hydroxy-4-oxobutyl)benzeneamine oxide hydrochloride Traditional Name: N,N-bis(2-chloroethyl)-4-(4-hydroxy-4-keto-butyl)benzeneamine oxide hydrochloride Formula: C14H20Cl3NO3 MolecularWeight: 356.6725

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC(=O)O)[N+](CCCl)(CCCl)[O-].Cl

Isomeric SMILES

C1=CC(=CC=C1CCCC(=O)O)[N+](CCCl)(CCCl)[O-].Cl

InChI

InChI=1S/C14H19Cl2NO3.ClH/c15-8-10-17(20,11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19;/h4-7H,1-3,8-11H2,(H,18,19);1H