[5-[1-(1-benzothiophen-2-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-morpholin-4-yl-methanone

Systemtic Name: [5-[1-(1-benzothiophen-2-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-morpholin-4-yl-methanone Openeye Name: [5-[1-(benzothiophen-2-ylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-morpholino-methanone CAS Name: [5-[1-(1-benzothiophen-2-ylmethyl)-4-hydroxy-4-piperidin-1-iumyl]-2-benzofuranyl]-(4-morpholinyl)methanone IUPAC Name: [5-[1-(1-benzothiophen-2-ylmethyl)-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-yl]-morpholin-4-ylmethanone Traditional Name: [5-[1-(benzothiophen-2-ylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-morpholino-methanone Formula: C27H29N2O4S+ MolecularWeight: 477.59516

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)N4CCOCC4)O)CC5=CC6=CC=CC=C6S5

Isomeric SMILES

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)N4CCOCC4)O)CC5=CC6=CC=CC=C6S5

InChI

InChI=1S/C27H28N2O4S/c30-26(29-11-13-32-14-12-29)24-17-20-15-21(5-6-23(20)33-24)27(31)7-9-28(10-8-27)18-22-16-19-3-1-2-4-25(19)34-22/h1-6,15-17,31H,7-14,18H2/p+1