cyclohexyl-[(4-fluorophenyl)methyl]-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium

Systemtic Name: cyclohexyl-[(4-fluorophenyl)methyl]-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium Openeye Name: cyclohexyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]ammonium CAS Name: cyclohexyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]ammonium IUPAC Name: cyclohexyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium Traditional Name: cyclohexyl-(4-fluorobenzyl)-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]ammonium Formula: C24H31FN3O2S+ MolecularWeight: 444.585243

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC2=CC=C(C=C2)F)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CCC(CC1)[NH+](CC2=CC=C(C=C2)F)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C24H30FN3O2S/c25-20-10-8-19(9-11-20)17-28(21-5-2-1-3-6-21)18-23(29)26-12-14-27(15-13-26)24(30)22-7-4-16-31-22/h4,7-11,16,21H,1-3,5-6,12-15,17-18H2/p+1