[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(3-bromophenyl)methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-(3-bromobenzyl)piperazin-4-ium-1-yl]-phenyl-methanone Formula: C18H20BrN2O+ MolecularWeight: 360.2682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Br)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Br)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19BrN2O/c19-17-8-4-5-15(13-17)14-20-9-11-21(12-10-20)18(22)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2/p+1