4-[6-azanyl-3-(4-methoxyphenyl)pyridazin-1-ium-1-yl]butanoate

Systemtic Name: 4-[6-azanyl-3-(4-methoxyphenyl)pyridazin-1-ium-1-yl]butanoate Openeye Name: 4-[6-amino-3-(4-methoxyphenyl)pyridazin-1-ium-1-yl]butanoate CAS Name: 4-[6-amino-3-(4-methoxyphenyl)-1-pyridazin-1-iumyl]butanoate IUPAC Name: 4-[6-amino-3-(4-methoxyphenyl)pyridazin-1-ium-1-yl]butanoate Traditional Name: 4-[6-amino-3-(4-methoxyphenyl)pyridazin-1-ium-1-yl]butyrate Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=N[N+](=C(C=C2)N)CCCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=N[N+](=C(C=C2)N)CCCC(=O)[O-]

InChI

InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)