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

Systemtic Name: 1-[4-(4-bromanyl-2-propan-2-yl-phenoxy)butyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[4-(4-bromo-2-isopropyl-phenoxy)butyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[4-(4-bromo-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[4-(4-bromo-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[4-(4-bromo-2-isopropyl-phenoxy)butyl]-4-methyl-piperazine-1,4-diium Formula: C18H31BrN2O+2 MolecularWeight: 371.35554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29BrN2O/c1-15(2)17-14-16(19)6-7-18(17)22-13-5-4-8-21-11-9-20(3)10-12-21/h6-7,14-15H,4-5,8-13H2,1-3H3/p+2