[6-bromanyl-2-(2-chlorophenyl)quinolin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [6-bromanyl-2-(2-chlorophenyl)quinolin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [6-bromo-2-(2-chlorophenyl)-4-quinolyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [6-bromo-2-(2-chlorophenyl)-4-quinolinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [6-bromo-2-(2-chlorophenyl)quinolin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [6-bromo-2-(2-chlorophenyl)-4-quinolyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C21H20BrClN3O+ MolecularWeight: 445.76

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H19BrClN3O/c1-25-8-10-26(11-9-25)21(27)17-13-20(15-4-2-3-5-18(15)23)24-19-7-6-14(22)12-16(17)19/h2-7,12-13H,8-11H2,1H3/p+1