[(E)-[(1-methylpyridin-1-ium-2-yl)-phenyl-methylidene]amino] 3,4,5-trimethoxybenzoate

Systemtic Name: [(E)-[(1-methylpyridin-1-ium-2-yl)-phenyl-methylidene]amino] 3,4,5-trimethoxybenzoate Openeye Name: [(E)-[(1-methylpyridin-1-ium-2-yl)-phenyl-methylene]amino] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [(E)-[(1-methyl-2-pyridin-1-iumyl)-phenylmethylidene]amino] ester IUPAC Name: [(E)-[(1-methylpyridin-1-ium-2-yl)-phenylmethylidene]amino] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [(E)-[(1-methylpyridin-1-ium-2-yl)-phenyl-methylene]amino] ester Formula: C23H23N2O5+ MolecularWeight: 407.43912

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C(=NOC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CC=C3

Isomeric SMILES

C[N+]1=CC=CC=C1/C(=N/OC(=O)C2=CC(=C(C(=C2)OC)OC)OC)/C3=CC=CC=C3

InChI

InChI=1S/C23H23N2O5/c1-25-13-9-8-12-18(25)21(16-10-6-5-7-11-16)24-30-23(26)17-14-19(27-2)22(29-4)20(15-17)28-3/h5-15H,1-4H3/q+1/b24-21+