methyl 4-[2-[5-methoxy-4-oxidanylidene-2-(pyrrolidin-1-ium-1-ylmethyl)pyridin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[5-methoxy-4-oxidanylidene-2-(pyrrolidin-1-ium-1-ylmethyl)pyridin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[5-methoxy-4-oxo-2-(pyrrolidin-1-ium-1-ylmethyl)-1-pyridyl]acetyl]amino]benzoate CAS Name: 4-[[2-[5-methoxy-4-oxo-2-(1-pyrrolidin-1-iumylmethyl)-1-pyridinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-methoxy-4-oxo-2-(pyrrolidin-1-ium-1-ylmethyl)pyridin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-keto-5-methoxy-2-(pyrrolidin-1-ium-1-ylmethyl)-1-pyridyl]acetyl]amino]benzoic acid methyl ester Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C(=CC1=O)C[NH+]2CCCC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CN(C(=CC1=O)C[NH+]2CCCC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H25N3O5/c1-28-19-13-24(17(11-18(19)25)12-23-9-3-4-10-23)14-20(26)22-16-7-5-15(6-8-16)21(27)29-2/h5-8,11,13H,3-4,9-10,12,14H2,1-2H3,(H,22,26)/p+1