1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-methylphenoxy)propan-1-one

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-methylphenoxy)propan-1-one Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-methylphenoxy)propan-1-one CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-(2-methylphenoxy)-1-propanone IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-methylphenoxy)propan-1-one Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-methylphenoxy)propan-1-one Formula: C23H29N2O3+ MolecularWeight: 381.48796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=CC=CC=C1OCCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C23H28N2O3/c1-18-4-2-3-5-21(18)27-15-9-23(26)25-12-10-24(11-13-25)17-19-6-7-22-20(16-19)8-14-28-22/h2-7,16H,8-15,17H2,1H3/p+1