[6-bromanyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [6-bromanyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [6-bromo-2-(4-isopropylphenyl)-4-quinolyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [6-bromo-2-(4-propan-2-ylphenyl)-4-quinolinyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [6-bromo-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (6-bromo-2-p-cumenyl-4-quinolyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C25H29BrN3O+ MolecularWeight: 467.42126

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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=C(C=C4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28BrN3O/c1-4-28-11-13-29(14-12-28)25(30)22-16-24(19-7-5-18(6-8-19)17(2)3)27-23-10-9-20(26)15-21(22)23/h5-10,15-17H,4,11-14H2,1-3H3/p+1