1-[6-(4-methoxyphenyl)-2-thiomorpholin-4-yl-pyridin-3-yl]carbonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[6-(4-methoxyphenyl)-2-thiomorpholin-4-yl-pyridin-3-yl]carbonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[6-(4-methoxyphenyl)-2-thiomorpholino-pyridine-3-carbonyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[[6-(4-methoxyphenyl)-2-thiomorpholin-4-yl-3-pyridinyl]-oxomethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[6-(4-methoxyphenyl)-2-thiomorpholin-4-ylpyridine-3-carbonyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[6-(4-methoxyphenyl)-2-thiomorpholino-nicotinoyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C28H38N5O3S+ MolecularWeight: 524.69802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C(=O)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)N5CCSCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C(=O)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)N5CCSCC5

InChI

InChI=1S/C28H37N5O3S/c1-36-22-7-5-21(6-8-22)24-10-9-23(25(30-24)31-17-19-37-20-18-31)26(34)32-15-11-28(12-16-32,27(29)35)33-13-3-2-4-14-33/h5-10H,2-4,11-20H2,1H3,(H2,29,35)/p+1