1-[4-[4-(4-tert-butylcyclohexyl)piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(4-tert-butylcyclohexyl)piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(4-tert-butylcyclohexyl)piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-(4-tert-butylcyclohexyl)-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(4-tert-butylcyclohexyl)piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(4-tert-butylcyclohexyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C22H35N2O+ MolecularWeight: 343.5261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)C3CCC(CC3)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)C3CCC(CC3)C(C)(C)C

InChI

InChI=1S/C22H34N2O/c1-17(25)18-5-9-20(10-6-18)23-13-15-24(16-14-23)21-11-7-19(8-12-21)22(2,3)4/h5-6,9-10,19,21H,7-8,11-16H2,1-4H3/p+1