2-[(1,6-dimethoxy-1-methyl-2-phenylmethoxy-pyridin-1-ium-6-id-3-yl)sulfonylamino]butanedioic acid

Systemtic Name: 2-[(1,6-dimethoxy-1-methyl-2-phenylmethoxy-pyridin-1-ium-6-id-3-yl)sulfonylamino]butanedioic acid Openeye Name: 2-[(2-benzyloxy-1,6-dimethoxy-1-methyl-pyridin-1-ium-6-id-3-yl)sulfonylamino]butanedioic acid CAS Name: 2-[(1,6-dimethoxy-1-methyl-2-phenylmethoxy-3-pyridin-1-ium-6-idyl)sulfonylamino]butanedioic acid IUPAC Name: 2-[(1,6-dimethoxy-1-methyl-2-phenylmethoxypyridin-1-ium-6-id-3-yl)sulfonylamino]butanedioic acid Traditional Name: 2-[(2-benzoxy-1,6-dimethoxy-1-methyl-pyridin-1-ium-6-id-3-yl)sulfonylamino]succinic acid Formula: C19H24N2O9S MolecularWeight: 456.46686

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1([C-](C=CC(=C1OCC2=CC=CC=C2)S(=O)(=O)NC(CC(=O)O)C(=O)O)OC)OC

Isomeric SMILES

C[N+]1([C-](C=CC(=C1OCC2=CC=CC=C2)S(=O)(=O)NC(CC(=O)O)C(=O)O)OC)OC

InChI

InChI=1S/C19H24N2O9S/c1-21(29-3)16(28-2)10-9-15(18(21)30-12-13-7-5-4-6-8-13)31(26,27)20-14(19(24)25)11-17(22)23/h4-10,14,20H,11-12H2,1-3H3,(H,22,23)(H,24,25)