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

Systemtic Name: [5-[4-oxidanyl-1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-piperidin-1-yl-methanone Openeye Name: [5-[4-hydroxy-1-(2-thienylmethyl)piperidin-1-ium-4-yl]benzofuran-2-yl]-(1-piperidyl)methanone CAS Name: [5-[4-hydroxy-1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]-2-benzofuranyl]-(1-piperidinyl)methanone IUPAC Name: [5-[4-hydroxy-1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone Traditional Name: [5-[4-hydroxy-1-(2-thenyl)piperidin-1-ium-4-yl]benzofuran-2-yl]-piperidino-methanone Formula: C24H29N2O3S+ MolecularWeight: 425.56366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CC=CS5)O

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CC=CS5)O

InChI

InChI=1S/C24H28N2O3S/c27-23(26-10-2-1-3-11-26)22-16-18-15-19(6-7-21(18)29-22)24(28)8-12-25(13-9-24)17-20-5-4-14-30-20/h4-7,14-16,28H,1-3,8-13,17H2/p+1