[4-(diphenylmethyl)piperazin-4-ium-1-yl]-[2-(2-methylpropoxy)phenyl]methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-[2-(2-methylpropoxy)phenyl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-isobutoxyphenyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[2-(2-methylpropoxy)phenyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(2-methylpropoxy)phenyl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-isobutoxyphenyl)methanone Formula: C28H33N2O2+ MolecularWeight: 429.57382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H32N2O2/c1-22(2)21-32-26-16-10-9-15-25(26)28(31)30-19-17-29(18-20-30)27(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-16,22,27H,17-21H2,1-2H3/p+1