3-(ethylamino)-5-(phenylcarbonyl)-4-pyridin-1-ium-1-yl-thiophene-2-carboxylic acid

Systemtic Name: 3-(ethylamino)-5-(phenylcarbonyl)-4-pyridin-1-ium-1-yl-thiophene-2-carboxylic acid Openeye Name: 5-benzoyl-3-(ethylamino)-4-pyridin-1-ium-1-yl-thiophene-2-carboxylic acid CAS Name: 5-benzoyl-3-(ethylamino)-4-(1-pyridin-1-iumyl)-2-thiophenecarboxylic acid IUPAC Name: 5-benzoyl-3-(ethylamino)-4-pyridin-1-ium-1-ylthiophene-2-carboxylic acid Traditional Name: 5-benzoyl-3-(ethylamino)-4-pyridin-1-ium-1-yl-2-thenoic acid Formula: C19H17N2O3S+ MolecularWeight: 353.41488

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(SC(=C1[N+]2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCNC1=C(SC(=C1[N+]2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H16N2O3S/c1-2-20-14-15(21-11-7-4-8-12-21)18(25-17(14)19(23)24)16(22)13-9-5-3-6-10-13/h3-12,20H,2H2,1H3/p+1