1-[3-(2-tert-butyl-4-chloranyl-phenoxy)propyl]piperazine-1,4-diium

Systemtic Name: 1-[3-(2-tert-butyl-4-chloranyl-phenoxy)propyl]piperazine-1,4-diium Openeye Name: 1-[3-(2-tert-butyl-4-chloro-phenoxy)propyl]piperazine-1,4-diium CAS Name: 1-[3-(2-tert-butyl-4-chlorophenoxy)propyl]piperazine-1,4-diium IUPAC Name: 1-[3-(2-tert-butyl-4-chlorophenoxy)propyl]piperazine-1,4-diium Traditional Name: 1-[3-(2-tert-butyl-4-chloro-phenoxy)propyl]piperazine-1,4-diium Formula: C17H29ClN2O+2 MolecularWeight: 312.87796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Cl)OCCC[NH+]2CC[NH2+]CC2

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Cl)OCCC[NH+]2CC[NH2+]CC2

InChI

InChI=1S/C17H27ClN2O/c1-17(2,3)15-13-14(18)5-6-16(15)21-12-4-9-20-10-7-19-8-11-20/h5-6,13,19H,4,7-12H2,1-3H3/p+2