6-[(2,3-dimethoxyphenyl)methyl-methyl-amino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[(2,3-dimethoxyphenyl)methyl-methyl-amino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(2,3-dimethoxyphenyl)methyl-methyl-amino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[(2,3-dimethoxyphenyl)methyl-methylamino]-N,N-diethyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(2,3-dimethoxyphenyl)methyl-methylamino]-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: N,N-diethyl-6-[methyl(o-veratryl)amino]pyridin-1-ium-3-sulfonamide Formula: C19H28N3O4S+ MolecularWeight: 394.50832

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N(C)CC2=C(C(=CC=C2)OC)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N(C)CC2=C(C(=CC=C2)OC)OC

InChI

InChI=1S/C19H27N3O4S/c1-6-22(7-2)27(23,24)16-11-12-18(20-13-16)21(3)14-15-9-8-10-17(25-4)19(15)26-5/h8-13H,6-7,14H2,1-5H3/p+1