N-ethyl-6-[[(2R)-oxolan-2-yl]methylamino]-N-phenyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: N-ethyl-6-[[(2R)-oxolan-2-yl]methylamino]-N-phenyl-pyridin-1-ium-3-sulfonamide Openeye Name: N-ethyl-N-phenyl-6-[[(2R)-tetrahydrofuran-2-yl]methylamino]pyridin-1-ium-3-sulfonamide CAS Name: N-ethyl-6-[[(2R)-2-oxolanyl]methylamino]-N-phenyl-3-pyridin-1-iumsulfonamide IUPAC Name: N-ethyl-6-[[(2R)-oxolan-2-yl]methylamino]-N-phenylpyridin-1-ium-3-sulfonamide Traditional Name: N-ethyl-N-phenyl-6-[[(2R)-tetrahydrofuran-2-yl]methylamino]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)NCC3CCCO3

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NC[C@H]3CCCO3

InChI

InChI=1S/C18H23N3O3S/c1-2-21(15-7-4-3-5-8-15)25(22,23)17-10-11-18(20-14-17)19-13-16-9-6-12-24-16/h3-5,7-8,10-11,14,16H,2,6,9,12-13H2,1H3,(H,19,20)/p+1/t16-/m1/s1