4-tert-butyl-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzamide Openeye Name: 4-tert-butyl-N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethyl]benzamide CAS Name: 4-tert-butyl-N-[(2R)-2-(4-methylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzamide Traditional Name: 4-tert-butyl-N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethyl]benzamide Formula: C25H36N3O+ MolecularWeight: 394.57284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)C(C)(C)C)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)C(C)(C)C)N3CC[NH+](CC3)C

InChI

InChI=1S/C25H35N3O/c1-19-6-8-20(9-7-19)23(28-16-14-27(5)15-17-28)18-26-24(29)21-10-12-22(13-11-21)25(2,3)4/h6-13,23H,14-18H2,1-5H3,(H,26,29)/p+1/t23-/m0/s1