1-ethyl-4-[4-(3-methyl-4-propan-2-yl-phenoxy)butyl]piperazine-1,4-diium

Systemtic Name: 1-ethyl-4-[4-(3-methyl-4-propan-2-yl-phenoxy)butyl]piperazine-1,4-diium Openeye Name: 1-ethyl-4-[4-(4-isopropyl-3-methyl-phenoxy)butyl]piperazine-1,4-diium CAS Name: 1-ethyl-4-[4-(3-methyl-4-propan-2-ylphenoxy)butyl]piperazine-1,4-diium IUPAC Name: 1-ethyl-4-[4-(3-methyl-4-propan-2-ylphenoxy)butyl]piperazine-1,4-diium Traditional Name: 1-ethyl-4-[4-(4-isopropyl-3-methyl-phenoxy)butyl]piperazine-1,4-diium Formula: C20H36N2O+2 MolecularWeight: 320.51264

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCCCOC2=CC(=C(C=C2)C(C)C)C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCCCOC2=CC(=C(C=C2)C(C)C)C

InChI

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