[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(5-isopropyl-3-methyl-isoxazol-4-yl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-(3-methyl-5-propan-2-yl-4-isoxazolyl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-(5-isopropyl-3-methyl-isoxazol-4-yl)methanone Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)C(C)C

InChI

InChI=1S/C21H27N3O3/c1-14(2)20-19(15(3)22-27-20)21(25)24-9-7-23(8-10-24)13-16-4-5-18-17(12-16)6-11-26-18/h4-5,12,14H,6-11,13H2,1-3H3/p+1