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

Systemtic Name: 1-[4-(4-tert-butyl-2-chloranyl-phenoxy)butyl]piperazine-1,4-diium Openeye Name: 1-[4-(4-tert-butyl-2-chloro-phenoxy)butyl]piperazine-1,4-diium CAS Name: 1-[4-(4-tert-butyl-2-chlorophenoxy)butyl]piperazine-1,4-diium IUPAC Name: 1-[4-(4-tert-butyl-2-chlorophenoxy)butyl]piperazine-1,4-diium Traditional Name: 1-[4-(4-tert-butyl-2-chloro-phenoxy)butyl]piperazine-1,4-diium Formula: C18H31ClN2O+2 MolecularWeight: 326.90454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29ClN2O/c1-18(2,3)15-6-7-17(16(19)14-15)22-13-5-4-10-21-11-8-20-9-12-21/h6-7,14,20H,4-5,8-13H2,1-3H3/p+2