[6-bromanyl-2-(4-tert-butylphenyl)quinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [6-bromanyl-2-(4-tert-butylphenyl)quinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [6-bromo-2-(4-tert-butylphenyl)-4-quinolyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [6-bromo-2-(4-tert-butylphenyl)-4-quinolinyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [6-bromo-2-(4-tert-butylphenyl)quinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [6-bromo-2-(4-tert-butylphenyl)-4-quinolyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C26H31BrN3O+ MolecularWeight: 481.44784

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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)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)C

InChI

InChI=1S/C26H30BrN3O/c1-5-29-12-14-30(15-13-29)25(31)22-17-24(28-23-11-10-20(27)16-21(22)23)18-6-8-19(9-7-18)26(2,3)4/h6-11,16-17H,5,12-15H2,1-4H3/p+1