ethyl 4-(6-azanyl-5-methyl-3-naphthalen-1-yl-pyridazin-1-ium-1-yl)butanoate

Systemtic Name: ethyl 4-(6-azanyl-5-methyl-3-naphthalen-1-yl-pyridazin-1-ium-1-yl)butanoate Openeye Name: ethyl 4-[6-amino-5-methyl-3-(1-naphthyl)pyridazin-1-ium-1-yl]butanoate CAS Name: 4-[6-amino-5-methyl-3-(1-naphthalenyl)-1-pyridazin-1-iumyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-(6-amino-5-methyl-3-naphthalen-1-ylpyridazin-1-ium-1-yl)butanoate Traditional Name: 4-[6-amino-5-methyl-3-(1-naphthyl)pyridazin-1-ium-1-yl]butyric acid ethyl ester Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC[N+]1=C(C(=CC(=N1)C2=CC=CC3=CC=CC=C32)C)N

Isomeric SMILES

CCOC(=O)CCC[N+]1=C(C(=CC(=N1)C2=CC=CC3=CC=CC=C32)C)N

InChI

InChI=1S/C21H23N3O2/c1-3-26-20(25)12-7-13-24-21(22)15(2)14-19(23-24)18-11-6-9-16-8-4-5-10-17(16)18/h4-6,8-11,14,22H,3,7,12-13H2,1-2H3/p+1