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

Systemtic Name: 2-(4-chlorophenyl)-5-[[1-(4-ethylpiperazin-1-ium-1-yl)cyclohexyl]methylamino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-(4-chlorophenyl)-5-[[1-(4-ethylpiperazin-1-ium-1-yl)cyclohexyl]methylamino]oxazole-4-carbonitrile CAS Name: 2-(4-chlorophenyl)-5-[[1-(4-ethyl-1-piperazin-1-iumyl)cyclohexyl]methylamino]-4-oxazolecarbonitrile IUPAC Name: 2-(4-chlorophenyl)-5-[[1-(4-ethylpiperazin-1-ium-1-yl)cyclohexyl]methylamino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-chlorophenyl)-5-[[1-(4-ethylpiperazin-1-ium-1-yl)cyclohexyl]methylamino]oxazole-4-carbonitrile Formula: C23H31ClN5O+ MolecularWeight: 428.97814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN5O/c1-2-28-12-14-29(15-13-28)23(10-4-3-5-11-23)17-26-22-20(16-25)27-21(30-22)18-6-8-19(24)9-7-18/h6-9,26H,2-5,10-15,17H2,1H3/p+1