2,3-dihydro-1-benzofuran-5-yl-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: 2,3-dihydro-1-benzofuran-5-yl-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2,3-dihydrobenzofuran-5-yl)methanone CAS Name: 2,3-dihydrobenzofuran-5-yl-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-coumaran-5-yl-methanone Formula: C26H27N2O2+ MolecularWeight: 399.50478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N2O2/c29-26(23-11-12-24-22(19-23)13-18-30-24)28-16-14-27(15-17-28)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,19,25H,13-18H2/p+1