[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(2-bromophenyl)methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-(2-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=C2Br)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Br)C(=O)C3=CC=CC=C3

InChI

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