2-(5-bromanylfuran-2-yl)-5-[[1-(4-ethylpiperazin-1-ium-1-yl)cyclohexyl]methylamino]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(5-bromanylfuran-2-yl)-5-[[1-(4-ethylpiperazin-1-ium-1-yl)cyclohexyl]methylamino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-(5-bromo-2-furyl)-5-[[1-(4-ethylpiperazin-1-ium-1-yl)cyclohexyl]methylamino]oxazole-4-carbonitrile CAS Name: 2-(5-bromo-2-furanyl)-5-[[1-(4-ethyl-1-piperazin-1-iumyl)cyclohexyl]methylamino]-4-oxazolecarbonitrile IUPAC Name: 2-(5-bromofuran-2-yl)-5-[[1-(4-ethylpiperazin-1-ium-1-yl)cyclohexyl]methylamino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-(5-bromo-2-furyl)-5-[[1-(4-ethylpiperazin-1-ium-1-yl)cyclohexyl]methylamino]oxazole-4-carbonitrile Formula: C21H29BrN5O2+ MolecularWeight: 463.39126

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C2(CCCCC2)CNC3=C(N=C(O3)C4=CC=C(O4)Br)C#N

Isomeric SMILES

CCN1CC[NH+](CC1)C2(CCCCC2)CNC3=C(N=C(O3)C4=CC=C(O4)Br)C#N

InChI

InChI=1S/C21H28BrN5O2/c1-2-26-10-12-27(13-11-26)21(8-4-3-5-9-21)15-24-19-16(14-23)25-20(29-19)17-6-7-18(22)28-17/h6-7,24H,2-5,8-13,15H2,1H3/p+1