1-[5-(2-tert-butyl-4-methyl-phenoxy)pentyl]piperazin-4-ium

Systemtic Name: 1-[5-(2-tert-butyl-4-methyl-phenoxy)pentyl]piperazin-4-ium Openeye Name: 1-[5-(2-tert-butyl-4-methyl-phenoxy)pentyl]piperazin-4-ium CAS Name: 1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazin-4-ium IUPAC Name: 1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazin-4-ium Traditional Name: 1-[5-(2-tert-butyl-4-methyl-phenoxy)pentyl]piperazin-4-ium Formula: C20H35N2O+ MolecularWeight: 319.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCCN2CC[NH2+]CC2)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCCN2CC[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+1