1-[(3-bromophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(3-bromophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(3-bromobenzyl)-4-(3-phenoxybenzyl)piperazin-1-ium Formula: C24H26BrN2O+ MolecularWeight: 438.38004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Br)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Br)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H25BrN2O/c25-22-8-4-6-20(16-22)18-26-12-14-27(15-13-26)19-21-7-5-11-24(17-21)28-23-9-2-1-3-10-23/h1-11,16-17H,12-15,18-19H2/p+1