4-[6-oxidanylidene-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid

Systemtic Name: 4-[6-oxidanylidene-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Openeye Name: 4-(6-oxo-3-tetralin-6-yl-4,5-dihydro-1H-pyridazin-2-ium-2-yl)benzoic acid CAS Name: 4-[6-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid IUPAC Name: 4-[6-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Traditional Name: 4-(6-keto-3-tetralin-6-yl-4,5-dihydro-1H-pyridazin-2-ium-2-yl)benzoic acid Formula: C21H21N2O3+ MolecularWeight: 349.40304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C3=[N+](NC(=O)CC3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C3=[N+](NC(=O)CC3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H20N2O3/c24-20-12-11-19(17-6-5-14-3-1-2-4-16(14)13-17)23(22-20)18-9-7-15(8-10-18)21(25)26/h5-10,13H,1-4,11-12H2,(H-,22,24,25,26)/p+1