1-[3-(2-tert-butyl-4-chloranyl-phenoxy)propyl]piperazin-4-ium

Systemtic Name: 1-[3-(2-tert-butyl-4-chloranyl-phenoxy)propyl]piperazin-4-ium Openeye Name: 1-[3-(2-tert-butyl-4-chloro-phenoxy)propyl]piperazin-4-ium CAS Name: 1-[3-(2-tert-butyl-4-chlorophenoxy)propyl]piperazin-4-ium IUPAC Name: 1-[3-(2-tert-butyl-4-chlorophenoxy)propyl]piperazin-4-ium Traditional Name: 1-[3-(2-tert-butyl-4-chloro-phenoxy)propyl]piperazin-4-ium Formula: C17H28ClN2O+ MolecularWeight: 311.87002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Cl)OCCCN2CC[NH2+]CC2

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Cl)OCCCN2CC[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+1