4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-(5-methylisoxazol-3-yl)piperazin-4-ium-1-carboxamide CAS Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-N-(5-methyl-3-isoxazolyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(coumaran-5-ylmethyl)-N-(5-methylisoxazol-3-yl)piperazin-4-ium-1-carboxamide Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C18H22N4O3/c1-13-10-17(20-25-13)19-18(23)22-7-5-21(6-8-22)12-14-2-3-16-15(11-14)4-9-24-16/h2-3,10-11H,4-9,12H2,1H3,(H,19,20,23)/p+1