1-[4-[2-chloranyl-4-(2-methylbutan-2-yl)phenoxy]butyl]-4-ethyl-piperazine-1,4-diium

Systemtic Name: 1-[4-[2-chloranyl-4-(2-methylbutan-2-yl)phenoxy]butyl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[4-[2-chloro-4-(1,1-dimethylpropyl)phenoxy]butyl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[4-(4-tert-amyl-2-chloro-phenoxy)butyl]-4-ethyl-piperazine-1,4-diium Formula: C21H37ClN2O+2 MolecularWeight: 368.98428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35ClN2O/c1-5-21(3,4)18-9-10-20(19(22)17-18)25-16-8-7-11-24-14-12-23(6-2)13-15-24/h9-10,17H,5-8,11-16H2,1-4H3/p+2