2,3-dihydro-1,4-benzodioxin-3-yl-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone Formula: C26H27N2O3+ MolecularWeight: 415.50418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C26H26N2O3/c29-26(24-19-30-22-13-7-8-14-23(22)31-24)28-17-15-27(16-18-28)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,24-25H,15-19H2/p+1