N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-(4-methoxy-3-piperidinosulfonyl-phenyl)-1-oxido-pyridin-1-ium-3-carboxamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C[N+](=CC=C2)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C[N+](=CC=C2)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H21N3O5S/c1-26-16-8-7-15(19-18(22)14-6-5-9-20(23)13-14)12-17(16)27(24,25)21-10-3-2-4-11-21/h5-9,12-13H,2-4,10-11H2,1H3,(H,19,22)