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

Systemtic Name: ethyl 4-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C18H21N3O3/c1-4-24-18(23)14-5-7-15(8-6-14)19-17(22)13-21-11-9-16(10-12-21)20(2)3/h5-12H,4,13H2,1-3H3/p+1