N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-thioxanthene-9-carboxamide

Systemtic Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-thioxanthene-9-carboxamide Openeye Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-thioxanthene-9-carboxamide CAS Name: N-[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]-9H-thioxanthene-9-carboxamide IUPAC Name: N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-9H-thioxanthene-9-carboxamide Traditional Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-thioxanthene-9-carboxamide Formula: C29H39N2OS+ MolecularWeight: 463.69776

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3SC4=CC=CC=C24)CC5CCCCCCC5

Isomeric SMILES

C[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3SC4=CC=CC=C24)CC5CCCCCCC5

InChI

InChI=1S/C29H38N2OS/c1-31(21-22-11-5-3-2-4-6-12-22)19-17-23(18-20-31)30-29(32)28-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)28/h7-10,13-16,22-23,28H,2-6,11-12,17-21H2,1H3/p+1