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

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

CC1=CC(=C(C=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCSCC5)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCSCC5)O)C

InChI

InChI=1S/C27H32N2O3S/c1-19-3-4-21(20(2)15-19)18-28-9-7-27(31,8-10-28)23-5-6-24-22(16-23)17-25(32-24)26(30)29-11-13-33-14-12-29/h3-6,15-17,31H,7-14,18H2,1-2H3/p+1