N-ethyl-6-[(3S)-3-oxidanylpiperidin-1-yl]-N-phenyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: N-ethyl-6-[(3S)-3-oxidanylpiperidin-1-yl]-N-phenyl-pyridin-1-ium-3-sulfonamide Openeye Name: N-ethyl-6-[(3S)-3-hydroxy-1-piperidyl]-N-phenyl-pyridin-1-ium-3-sulfonamide CAS Name: N-ethyl-6-[(3S)-3-hydroxy-1-piperidinyl]-N-phenyl-3-pyridin-1-iumsulfonamide IUPAC Name: N-ethyl-6-[(3S)-3-hydroxypiperidin-1-yl]-N-phenylpyridin-1-ium-3-sulfonamide Traditional Name: N-ethyl-6-[(3S)-3-hydroxypiperidino]-N-phenyl-pyridin-1-ium-3-sulfonamide Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCCC(C3)O

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC[C@@H](C3)O

InChI

InChI=1S/C18H23N3O3S/c1-2-21(15-7-4-3-5-8-15)25(23,24)17-10-11-18(19-13-17)20-12-6-9-16(22)14-20/h3-5,7-8,10-11,13,16,22H,2,6,9,12,14H2,1H3/p+1/t16-/m0/s1