[5-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-morpholin-4-yl-methanone

Systemtic Name: [5-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-morpholin-4-yl-methanone Openeye Name: [5-[4-hydroxy-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]benzofuran-2-yl]-morpholino-methanone CAS Name: [5-[4-hydroxy-1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-2-benzofuranyl]-(4-morpholinyl)methanone IUPAC Name: [5-[4-hydroxy-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-morpholin-4-ylmethanone Traditional Name: [5-[4-hydroxy-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]benzofuran-2-yl]-morpholino-methanone Formula: C28H33N2O4+ MolecularWeight: 461.57262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCOCC5)O

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCOCC5)O

InChI

InChI=1S/C28H32N2O4/c1-21(17-22-5-3-2-4-6-22)20-29-11-9-28(32,10-12-29)24-7-8-25-23(18-24)19-26(34-25)27(31)30-13-15-33-16-14-30/h2-8,17-19,32H,9-16,20H2,1H3/p+1/b21-17+