[5-[4-oxidanyl-1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [5-[4-oxidanyl-1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-yl-methanone Openeye Name: [5-[4-hydroxy-1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]benzofuran-2-yl]-thiomorpholino-methanone CAS Name: [5-[4-hydroxy-1-[(2S)-2-phenylpropyl]-4-piperidin-1-iumyl]-2-benzofuranyl]-thiomorpholin-4-ylmethanone IUPAC Name: [5-[4-hydroxy-1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-ylmethanone Traditional Name: [5-[4-hydroxy-1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]benzofuran-2-yl]-thiomorpholino-methanone Formula: C27H33N2O3S+ MolecularWeight: 465.62752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)N4CCSCC4)O)C5=CC=CC=C5

Isomeric SMILES

C[C@H](C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)N4CCSCC4)O)C5=CC=CC=C5

InChI

InChI=1S/C27H32N2O3S/c1-20(21-5-3-2-4-6-21)19-28-11-9-27(31,10-12-28)23-7-8-24-22(17-23)18-25(32-24)26(30)29-13-15-33-16-14-29/h2-8,17-18,20,31H,9-16,19H2,1H3/p+1/t20-/m1/s1