1-[4-(3-bromanylphenoxy)butyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[4-(3-bromanylphenoxy)butyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[4-(3-bromophenoxy)butyl]piperazine-1,4-diium CAS Name: 1-[4-(3-bromophenoxy)butyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[4-(3-bromophenoxy)butyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[4-(3-bromophenoxy)butyl]piperazine-1,4-diium Formula: C21H29BrN2O+2 MolecularWeight: 405.37176

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCCCOC2=CC(=CC=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC[NH+]1CCCCOC2=CC(=CC=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C21H27BrN2O/c22-20-9-6-10-21(17-20)25-16-5-4-11-23-12-14-24(15-13-23)18-19-7-2-1-3-8-19/h1-3,6-10,17H,4-5,11-16,18H2/p+2