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

Systemtic Name: [2-(4-bromophenyl)quinolin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [2-(4-bromophenyl)-4-quinolyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [2-(4-bromophenyl)-4-quinolinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-(4-bromophenyl)quinolin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-(4-bromophenyl)-4-quinolyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C21H21BrN3O+ MolecularWeight: 411.31494

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H20BrN3O/c1-24-10-12-25(13-11-24)21(26)18-14-20(15-6-8-16(22)9-7-15)23-19-5-3-2-4-17(18)19/h2-9,14H,10-13H2,1H3/p+1