4-[6-azanyl-3-(4-methoxyphenyl)-5-methyl-pyridazin-1-ium-1-yl]butanoic acid

Systemtic Name: 4-[6-azanyl-3-(4-methoxyphenyl)-5-methyl-pyridazin-1-ium-1-yl]butanoic acid Openeye Name: 4-[6-amino-3-(4-methoxyphenyl)-5-methyl-pyridazin-1-ium-1-yl]butanoic acid CAS Name: 4-[6-amino-3-(4-methoxyphenyl)-5-methyl-1-pyridazin-1-iumyl]butanoic acid IUPAC Name: 4-[6-amino-3-(4-methoxyphenyl)-5-methylpyridazin-1-ium-1-yl]butanoic acid Traditional Name: 4-[6-amino-3-(4-methoxyphenyl)-5-methyl-pyridazin-1-ium-1-yl]butyric acid Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=N[N+](=C1N)CCCC(=O)O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC(=N[N+](=C1N)CCCC(=O)O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H19N3O3/c1-11-10-14(12-5-7-13(22-2)8-6-12)18-19(16(11)17)9-3-4-15(20)21/h5-8,10,17H,3-4,9H2,1-2H3,(H,20,21)/p+1