N,N-dicyclohexyl-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-dicyclohexyl-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-dicyclohexyl-2-[4-[4-(4-fluorophenyl)thiazol-2-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-dicyclohexyl-2-[4-[4-(4-fluorophenyl)-2-thiazolyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-dicyclohexyl-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-dicyclohexyl-2-[4-[4-(4-fluorophenyl)thiazol-2-yl]piperazin-1-ium-1-yl]acetamide Formula: C27H38FN4OS+ MolecularWeight: 485.680223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)C[NH+]3CCN(CC3)C4=NC(=CS4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)C[NH+]3CCN(CC3)C4=NC(=CS4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H37FN4OS/c28-22-13-11-21(12-14-22)25-20-34-27(29-25)31-17-15-30(16-18-31)19-26(33)32(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h11-14,20,23-24H,1-10,15-19H2/p+1