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

Systemtic Name: [5-[1-[(4-ethylphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-yl-methanone Openeye Name: [5-[1-[(4-ethylphenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-thiomorpholino-methanone CAS Name: [5-[1-[(4-ethylphenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-2-benzofuranyl]-thiomorpholin-4-ylmethanone IUPAC Name: [5-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-ylmethanone Traditional Name: [5-[1-(4-ethylbenzyl)-4-hydroxy-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:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCSCC5)O

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCSCC5)O

InChI

InChI=1S/C27H32N2O3S/c1-2-20-3-5-21(6-4-20)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/h3-8,17-18,31H,2,9-16,19H2,1H3/p+1