[6-bromanyl-2-(3-methylphenyl)quinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [6-bromanyl-2-(3-methylphenyl)quinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [6-bromo-2-(m-tolyl)-4-quinolyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [6-bromo-2-(3-methylphenyl)-4-quinolinyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [6-bromo-2-(3-methylphenyl)quinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [6-bromo-2-(m-tolyl)-4-quinolyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C23H25BrN3O+ MolecularWeight: 439.3681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrN3O/c1-3-26-9-11-27(12-10-26)23(28)20-15-22(17-6-4-5-16(2)13-17)25-21-8-7-18(24)14-19(20)21/h4-8,13-15H,3,9-12H2,1-2H3/p+1