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

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1,3-benzoxazole Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1,3-benzoxazole CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-1,3-benzoxazole IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1,3-benzoxazole Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-1,3-benzoxazole Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C20H21N3O2/c1-2-4-19-17(3-1)21-20(25-19)23-10-8-22(9-11-23)14-15-5-6-18-16(13-15)7-12-24-18/h1-6,13H,7-12,14H2/p+1