1-[5-(2-tert-butyl-4-methyl-phenoxy)pentyl]piperazine-1,4-diium

Systemtic Name: 1-[5-(2-tert-butyl-4-methyl-phenoxy)pentyl]piperazine-1,4-diium Openeye Name: 1-[5-(2-tert-butyl-4-methyl-phenoxy)pentyl]piperazine-1,4-diium CAS Name: 1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine-1,4-diium IUPAC Name: 1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine-1,4-diium Traditional Name: 1-[5-(2-tert-butyl-4-methyl-phenoxy)pentyl]piperazine-1,4-diium Formula: C20H36N2O+2 MolecularWeight: 320.51264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCC[NH+]2CC[NH2+]CC2)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCC[NH+]2CC[NH2+]CC2)C(C)(C)C

InChI

InChI=1S/C20H34N2O/c1-17-8-9-19(18(16-17)20(2,3)4)23-15-7-5-6-12-22-13-10-21-11-14-22/h8-9,16,21H,5-7,10-15H2,1-4H3/p+2