2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2,3-dihydrobenzofuran-5-ylmethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-(2,3-dihydrobenzofuran-5-ylmethyl)-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(coumaran-5-ylmethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Formula: C23H28N7O2+ MolecularWeight: 434.51412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCNCC3CC(=O)N)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCNCC3CC(=O)N)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C23H27N7O2/c1-16-10-22(28-23(27-16)29-7-5-26-15-29)30(8-6-25-13-19(30)12-21(24)31)14-17-2-3-20-18(11-17)4-9-32-20/h2-3,5,7,10-11,15,19,25H,4,6,8-9,12-14H2,1H3,(H-,24,31)/p+1