[5-[1-[(1-methylindol-3-yl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [5-[1-[(1-methylindol-3-yl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-yl-methanone Openeye Name: [5-[4-hydroxy-1-[(1-methylindol-3-yl)methyl]piperidin-1-ium-4-yl]benzofuran-2-yl]-thiomorpholino-methanone CAS Name: [5-[4-hydroxy-1-[(1-methyl-3-indolyl)methyl]-4-piperidin-1-iumyl]-2-benzofuranyl]-thiomorpholin-4-ylmethanone IUPAC Name: [5-[4-hydroxy-1-[(1-methylindol-3-yl)methyl]piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-ylmethanone Traditional Name: [5-[4-hydroxy-1-[(1-methylindol-3-yl)methyl]piperidin-1-ium-4-yl]benzofuran-2-yl]-thiomorpholino-methanone Formula: C28H32N3O3S+ MolecularWeight: 490.63698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C[NH+]3CCC(CC3)(C4=CC5=C(C=C4)OC(=C5)C(=O)N6CCSCC6)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C[NH+]3CCC(CC3)(C4=CC5=C(C=C4)OC(=C5)C(=O)N6CCSCC6)O

InChI

InChI=1S/C28H31N3O3S/c1-29-18-21(23-4-2-3-5-24(23)29)19-30-10-8-28(33,9-11-30)22-6-7-25-20(16-22)17-26(34-25)27(32)31-12-14-35-15-13-31/h2-7,16-18,33H,8-15,19H2,1H3/p+1