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

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

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CC[NH+](CC4)CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CC[NH+](CC4)CC

InChI

InChI=1S/C26H30BrN3O/c1-3-5-6-19-7-9-20(10-8-19)25-18-23(22-17-21(27)11-12-24(22)28-25)26(31)30-15-13-29(4-2)14-16-30/h7-12,17-18H,3-6,13-16H2,1-2H3/p+1