N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C22H27N3O4/c1-23(15-17-6-7-20-21(14-17)29-13-12-28-20)22(27)16-24-8-10-25(11-9-24)18-4-2-3-5-19(18)26/h2-7,14,26H,8-13,15-16H2,1H3/p+1