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

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-phenylanthranil-5-yl)methanone Formula: C27H26N3O3+ MolecularWeight: 440.51364

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC5=C(ON=C5C=C4)C6=CC=CC=C6

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC5=C(ON=C5C=C4)C6=CC=CC=C6

InChI

InChI=1S/C27H25N3O3/c31-27(22-7-8-24-23(17-22)26(33-28-24)20-4-2-1-3-5-20)30-13-11-29(12-14-30)18-19-6-9-25-21(16-19)10-15-32-25/h1-9,16-17H,10-15,18H2/p+1