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

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(5-methoxy-3-methyl-benzofuran-2-yl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-(5-methoxy-3-methyl-2-benzofuranyl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-(5-methoxy-3-methyl-benzofuran-2-yl)methanone Formula: C24H27N2O4+ MolecularWeight: 407.48218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C24H26N2O4/c1-16-20-14-19(28-2)4-6-22(20)30-23(16)24(27)26-10-8-25(9-11-26)15-17-3-5-21-18(13-17)7-12-29-21/h3-6,13-14H,7-12,15H2,1-2H3/p+1