6-[(2,4,5-trimethoxyphenyl)methylamino]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[(2,4,5-trimethoxyphenyl)methylamino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(2,4,5-trimethoxyphenyl)methylamino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[(2,4,5-trimethoxyphenyl)methylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(2,4,5-trimethoxyphenyl)methylamino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[(2,4,5-trimethoxybenzyl)amino]pyridin-1-ium-3-sulfonamide Formula: C15H20N3O5S+ MolecularWeight: 354.4014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC2=[NH+]C=C(C=C2)S(=O)(=O)N)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC2=[NH+]C=C(C=C2)S(=O)(=O)N)OC)OC

InChI

InChI=1S/C15H19N3O5S/c1-21-12-7-14(23-3)13(22-2)6-10(12)8-17-15-5-4-11(9-18-15)24(16,19)20/h4-7,9H,8H2,1-3H3,(H,17,18)(H2,16,19,20)/p+1