4-(6-azanyl-5-methyl-3-phenyl-pyridazin-1-ium-1-yl)but-2-ynoic acid

Systemtic Name: 4-(6-azanyl-5-methyl-3-phenyl-pyridazin-1-ium-1-yl)but-2-ynoic acid Openeye Name: 4-(6-amino-5-methyl-3-phenyl-pyridazin-1-ium-1-yl)but-2-ynoic acid CAS Name: 4-(6-amino-5-methyl-3-phenyl-1-pyridazin-1-iumyl)-2-butynoic acid IUPAC Name: 4-(6-amino-5-methyl-3-phenylpyridazin-1-ium-1-yl)but-2-ynoic acid Traditional Name: 4-(6-amino-5-methyl-3-phenyl-pyridazin-1-ium-1-yl)but-2-ynoic acid Formula: C15H14N3O2+ MolecularWeight: 268.29056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=N[N+](=C1N)CC#CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=N[N+](=C1N)CC#CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C15H13N3O2/c1-11-10-13(12-6-3-2-4-7-12)17-18(15(11)16)9-5-8-14(19)20/h2-4,6-7,10,16H,9H2,1H3,(H,19,20)/p+1