[2-(4-bromophenyl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [2-(4-bromophenyl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-bromophenyl)-4-quinolyl]methanone CAS Name: [2-(4-bromophenyl)-4-quinolinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-bromophenyl)quinolin-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-bromophenyl)-4-quinolyl]methanone Formula: C27H25BrN3O+ MolecularWeight: 487.4109

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H24BrN3O/c28-22-12-10-21(11-13-22)26-18-24(23-8-4-5-9-25(23)29-26)27(32)31-16-14-30(15-17-31)19-20-6-2-1-3-7-20/h1-13,18H,14-17,19H2/p+1