[2-(3-bromophenyl)-8-methyl-quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(3-bromophenyl)-8-methyl-quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(3-bromophenyl)-8-methyl-4-quinolyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [2-(3-bromophenyl)-8-methyl-4-quinolinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [2-(3-bromophenyl)-8-methylquinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(3-bromophenyl)-8-methyl-4-quinolyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C26H24BrN4O+ MolecularWeight: 488.39896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC(=CC=C5)Br

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC(=CC=C5)Br

InChI

InChI=1S/C26H23BrN4O/c1-18-6-4-9-21-22(17-23(29-25(18)21)19-7-5-8-20(27)16-19)26(32)31-14-12-30(13-15-31)24-10-2-3-11-28-24/h2-11,16-17H,12-15H2,1H3/p+1