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

Systemtic Name: N-ethyl-6-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-phenyl-pyridin-1-ium-3-sulfonamide Openeye Name: N-ethyl-6-[(3S)-3-(hydroxymethyl)-1-piperidyl]-N-phenyl-pyridin-1-ium-3-sulfonamide CAS Name: N-ethyl-6-[(3S)-3-(hydroxymethyl)-1-piperidinyl]-N-phenyl-3-pyridin-1-iumsulfonamide IUPAC Name: N-ethyl-6-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridin-1-ium-3-sulfonamide Traditional Name: N-ethyl-6-[(3S)-3-methylolpiperidino]-N-phenyl-pyridin-1-ium-3-sulfonamide Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S/c1-2-22(17-8-4-3-5-9-17)26(24,25)18-10-11-19(20-13-18)21-12-6-7-16(14-21)15-23/h3-5,8-11,13,16,23H,2,6-7,12,14-15H2,1H3/p+1/t16-/m0/s1