N-ethyl-6-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-N-phenyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: N-ethyl-6-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-N-phenyl-pyridin-1-ium-3-sulfonamide Openeye Name: N-ethyl-6-[[(1R)-3-(2-furyl)-1-methyl-propyl]amino]-N-phenyl-pyridin-1-ium-3-sulfonamide CAS Name: N-ethyl-6-[[(2R)-4-(2-furanyl)butan-2-yl]amino]-N-phenyl-3-pyridin-1-iumsulfonamide IUPAC Name: N-ethyl-6-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-N-phenylpyridin-1-ium-3-sulfonamide Traditional Name: N-ethyl-6-[[(1R)-3-(2-furyl)-1-methyl-propyl]amino]-N-phenyl-pyridin-1-ium-3-sulfonamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NC(C)CCC3=CC=CO3

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N[C@H](C)CCC3=CC=CO3

InChI

InChI=1S/C21H25N3O3S/c1-3-24(18-8-5-4-6-9-18)28(25,26)20-13-14-21(22-16-20)23-17(2)11-12-19-10-7-15-27-19/h4-10,13-17H,3,11-12H2,1-2H3,(H,22,23)/p+1/t17-/m1/s1