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

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-(4-methyl-3-piperidinosulfonyl-phenyl)-1-oxido-pyridin-1-ium-4-carboxamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=[N+](C=C2)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=[N+](C=C2)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H21N3O4S/c1-14-5-6-16(19-18(22)15-7-11-20(23)12-8-15)13-17(14)26(24,25)21-9-3-2-4-10-21/h5-8,11-13H,2-4,9-10H2,1H3,(H,19,22)