methyl 4-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H19N3O3/c1-19(2)15-8-10-20(11-9-15)12-16(21)18-14-6-4-13(5-7-14)17(22)23-3/h4-11H,12H2,1-3H3/p+1