methyl 4-[[2-(dimethylamino)pyridin-1-ium-3-yl]methylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(dimethylamino)pyridin-1-ium-3-yl]methylcarbamoyl]benzoate Openeye Name: methyl 4-[[2-(dimethylamino)pyridin-1-ium-3-yl]methylcarbamoyl]benzoate CAS Name: 4-[[[2-(dimethylamino)-3-pyridin-1-iumyl]methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(dimethylamino)pyridin-1-ium-3-yl]methylcarbamoyl]benzoate Traditional Name: 4-[[2-(dimethylamino)pyridin-1-ium-3-yl]methylcarbamoyl]benzoic acid methyl ester Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

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