tert-butyl 4-(2-chloroethyl)piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(2-chloroethyl)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-(2-chloroethyl)piperazin-4-ium-1-carboxylate CAS Name: 4-(2-chloroethyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-chloroethyl)piperazin-4-ium-1-carboxylate Traditional Name: 4-(2-chloroethyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C11H22ClN2O2+ MolecularWeight: 249.75758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)CCCl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)CCCl

InChI

InChI=1S/C11H21ClN2O2/c1-11(2,3)16-10(15)14-8-6-13(5-4-12)7-9-14/h4-9H2,1-3H3/p+1