methyl 2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-pyrimidin-1-ium-5-carboxylate hydroxide

Systemtic Name: methyl 2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-pyrimidin-1-ium-5-carboxylate hydroxide Openeye Name: methyl 2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-pyrimidin-1-ium-5-carboxylate hydroxide CAS Name: 2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-5-pyrimidin-1-iumcarboxylic acid methyl ester hydroxide IUPAC Name: methyl 2-[(3,4-dimethoxyphenyl)methylamino]-1-methylpyrimidin-1-ium-5-carboxylate hydroxide Traditional Name: 1-methyl-2-(veratrylamino)pyrimidin-1-ium-5-carboxylic acid methyl ester hydroxide Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=CN=C1NCC2=CC(=C(C=C2)OC)OC)C(=O)OC.[OH-]

Isomeric SMILES

C[N+]1=CC(=CN=C1NCC2=CC(=C(C=C2)OC)OC)C(=O)OC.[OH-]

InChI

InChI=1S/C16H19N3O4.H2O/c1-19-10-12(15(20)23-4)9-18-16(19)17-8-11-5-6-13(21-2)14(7-11)22-3;/h5-7,9-10H,8H2,1-4H3;1H2