1-[(2-bromophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(2-bromophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(2-bromophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(2-bromophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(2-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=C2Br)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Br)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

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