1-(3-chloranyl-4-methyl-phenyl)-4-[6-[4-(2-methylbutan-2-yl)phenoxy]hexyl]piperazin-4-ium

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-4-[6-[4-(2-methylbutan-2-yl)phenoxy]hexyl]piperazin-4-ium Openeye Name: 1-(3-chloro-4-methyl-phenyl)-4-[6-[4-(1,1-dimethylpropyl)phenoxy]hexyl]piperazin-4-ium CAS Name: 1-(3-chloro-4-methylphenyl)-4-[6-[4-(2-methylbutan-2-yl)phenoxy]hexyl]piperazin-4-ium IUPAC Name: 1-(3-chloro-4-methylphenyl)-4-[6-[4-(2-methylbutan-2-yl)phenoxy]hexyl]piperazin-4-ium Traditional Name: 1-[6-(4-tert-amylphenoxy)hexyl]-4-(3-chloro-4-methyl-phenyl)piperazin-1-ium Formula: C28H42ClN2O+ MolecularWeight: 458.09888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OCCCCCC[NH+]2CCN(CC2)C3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCCCCCC[NH+]2CCN(CC2)C3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C28H41ClN2O/c1-5-28(3,4)24-11-14-26(15-12-24)32-21-9-7-6-8-16-30-17-19-31(20-18-30)25-13-10-23(2)27(29)22-25/h10-15,22H,5-9,16-21H2,1-4H3/p+1