[6-bromanyl-2-(4-ethylphenyl)quinolin-4-yl]-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [6-bromanyl-2-(4-ethylphenyl)quinolin-4-yl]-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [6-bromo-2-(4-ethylphenyl)-4-quinolyl]-[4-(2-furylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [6-bromo-2-(4-ethylphenyl)-4-quinolinyl]-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [6-bromo-2-(4-ethylphenyl)quinolin-4-yl]-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [6-bromo-2-(4-ethylphenyl)-4-quinolyl]-[4-(2-furfuryl)piperazin-4-ium-1-yl]methanone Formula: C27H27BrN3O2+ MolecularWeight: 505.42618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CO5

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CO5

InChI

InChI=1S/C27H26BrN3O2/c1-2-19-5-7-20(8-6-19)26-17-24(23-16-21(28)9-10-25(23)29-26)27(32)31-13-11-30(12-14-31)18-22-4-3-15-33-22/h3-10,15-17H,2,11-14,18H2,1H3/p+1