N,N-diethyl-6-[[(R)-phenyl(thiophen-2-yl)methyl]amino]pyridin-1-ium-3-sulfonamide

Systemtic Name: N,N-diethyl-6-[[(R)-phenyl(thiophen-2-yl)methyl]amino]pyridin-1-ium-3-sulfonamide Openeye Name: N,N-diethyl-6-[[(R)-phenyl(2-thienyl)methyl]amino]pyridin-1-ium-3-sulfonamide CAS Name: N,N-diethyl-6-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-3-pyridin-1-iumsulfonamide IUPAC Name: N,N-diethyl-6-[[(R)-phenyl(thiophen-2-yl)methyl]amino]pyridin-1-ium-3-sulfonamide Traditional Name: N,N-diethyl-6-[[(R)-phenyl(2-thienyl)methyl]amino]pyridin-1-ium-3-sulfonamide Formula: C20H24N3O2S2+ MolecularWeight: 402.55346

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)NC(C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N[C@H](C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C20H23N3O2S2/c1-3-23(4-2)27(24,25)17-12-13-19(21-15-17)22-20(18-11-8-14-26-18)16-9-6-5-7-10-16/h5-15,20H,3-4H2,1-2H3,(H,21,22)/p+1/t20-/m1/s1