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

Systemtic Name: 1-[4-(2-tert-butyl-4-chloranyl-phenoxy)butyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[4-(2-tert-butyl-4-chloro-phenoxy)butyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[4-(2-tert-butyl-4-chlorophenoxy)butyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[4-(2-tert-butyl-4-chlorophenoxy)butyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[4-(2-tert-butyl-4-chloro-phenoxy)butyl]-4-methyl-piperazine-1,4-diium Formula: C19H33ClN2O+2 MolecularWeight: 340.93112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31ClN2O/c1-19(2,3)17-15-16(20)7-8-18(17)23-14-6-5-9-22-12-10-21(4)11-13-22/h7-8,15H,5-6,9-14H2,1-4H3/p+2