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

Systemtic Name: [5-[1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-yl-methanone Openeye Name: [5-[4-hydroxy-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-4-yl]benzofuran-2-yl]-thiomorpholino-methanone CAS Name: [5-[4-hydroxy-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-piperidin-1-iumyl]-2-benzofuranyl]-thiomorpholin-4-ylmethanone IUPAC Name: [5-[4-hydroxy-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-ylmethanone Traditional Name: [5-[4-hydroxy-1-(4-methoxy-2,5-dimethyl-benzyl)piperidin-1-ium-4-yl]benzofuran-2-yl]-thiomorpholino-methanone Formula: C28H35N2O4S+ MolecularWeight: 495.6535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCSCC5)O)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCSCC5)O)C)OC

InChI

InChI=1S/C28H34N2O4S/c1-19-15-25(33-3)20(2)14-22(19)18-29-8-6-28(32,7-9-29)23-4-5-24-21(16-23)17-26(34-24)27(31)30-10-12-35-13-11-30/h4-5,14-17,32H,6-13,18H2,1-3H3/p+1