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

Systemtic Name: [5-[4-oxidanyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-yl-methanone Openeye Name: [5-[4-hydroxy-1-[(4-isopropylphenyl)methyl]piperidin-1-ium-4-yl]benzofuran-2-yl]-thiomorpholino-methanone CAS Name: [5-[4-hydroxy-1-[(4-propan-2-ylphenyl)methyl]-4-piperidin-1-iumyl]-2-benzofuranyl]-thiomorpholin-4-ylmethanone IUPAC Name: [5-[4-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-ylmethanone Traditional Name: [5-[4-hydroxy-1-(4-isopropylbenzyl)piperidin-1-ium-4-yl]benzofuran-2-yl]-thiomorpholino-methanone Formula: C28H35N2O3S+ MolecularWeight: 479.6541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O3S/c1-20(2)22-5-3-21(4-6-22)19-29-11-9-28(32,10-12-29)24-7-8-25-23(17-24)18-26(33-25)27(31)30-13-15-34-16-14-30/h3-8,17-18,20,32H,9-16,19H2,1-2H3/p+1