2,6-ditert-butyl-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2,6-ditert-butyl-4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C25H36ClN2O+ MolecularWeight: 416.01914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C25H35ClN2O/c1-24(2,3)21-14-18(15-22(23(21)29)25(4,5)6)17-27-10-12-28(13-11-27)20-9-7-8-19(26)16-20/h7-9,14-16,29H,10-13,17H2,1-6H3/p+1