6-[(3,4-dimethoxyphenyl)methylamino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[(3,4-dimethoxyphenyl)methylamino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(3,4-dimethoxyphenyl)methylamino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[(3,4-dimethoxyphenyl)methylamino]-N,N-diethyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(3,4-dimethoxyphenyl)methylamino]-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: N,N-diethyl-6-(veratrylamino)pyridin-1-ium-3-sulfonamide Formula: C18H26N3O4S+ MolecularWeight: 380.48174

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H25N3O4S/c1-5-21(6-2)26(22,23)15-8-10-18(20-13-15)19-12-14-7-9-16(24-3)17(11-14)25-4/h7-11,13H,5-6,12H2,1-4H3,(H,19,20)/p+1