2-[4-[bis(2-chloroethyl)amino]phenyl]-2-oxidanyl-ethanoate; piperidin-1-ium

Systemtic Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-oxidanyl-ethanoate; piperidin-1-ium Openeye Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-hydroxy-acetate; piperidin-1-ium CAS Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-hydroxyacetate; piperidin-1-ium IUPAC Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-hydroxyacetate; piperidin-1-ium Traditional Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-hydroxy-acetate; piperidin-1-ium Formula: C17H26Cl2N2O3 MolecularWeight: 377.30594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH2+]CC1.C1=CC(=CC=C1C(C(=O)[O-])O)N(CCCl)CCCl

Isomeric SMILES

C1CC[NH2+]CC1.C1=CC(=CC=C1C(C(=O)[O-])O)N(CCCl)CCCl

InChI

InChI=1S/C12H15Cl2NO3.C5H11N/c13-5-7-15(8-6-14)10-3-1-9(2-4-10)11(16)12(17)18;1-2-4-6-5-3-1/h1-4,11,16H,5-8H2,(H,17,18);6H,1-5H2