N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(4-methoxy-3-morpholinosulfonyl-phenyl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(4-methoxy-3-morpholinosulfonyl-phenyl)-2-piperidin-1-ium-1-yl-acetamide Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCCC2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCCC2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H27N3O5S/c1-25-16-6-5-15(19-18(22)14-20-7-3-2-4-8-20)13-17(16)27(23,24)21-9-11-26-12-10-21/h5-6,13H,2-4,7-12,14H2,1H3,(H,19,22)/p+1