ethyl 4-(3-azanyl-4-methyl-6-naphthalen-1-yl-1H-pyridazin-1-ium-2-yl)butanoate chloride

Systemtic Name: ethyl 4-(3-azanyl-4-methyl-6-naphthalen-1-yl-1H-pyridazin-1-ium-2-yl)butanoate chloride Openeye Name: ethyl 4-[3-amino-4-methyl-6-(1-naphthyl)-1H-pyridazin-1-ium-2-yl]butanoate chloride CAS Name: 4-[3-amino-4-methyl-6-(1-naphthalenyl)-1H-pyridazin-1-ium-2-yl]butanoic acid ethyl ester chloride IUPAC Name: ethyl 4-(3-amino-4-methyl-6-naphthalen-1-yl-1H-pyridazin-1-ium-2-yl)butanoate chloride Traditional Name: 4-[3-amino-4-methyl-6-(1-naphthyl)-1H-pyridazin-1-ium-2-yl]butyric acid ethyl ester chloride Formula: C21H26ClN3O2 MolecularWeight: 387.90304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=C(C=C([NH2+]1)C2=CC=CC3=CC=CC=C32)C)N.[Cl-]

Isomeric SMILES

CCOC(=O)CCCN1C(=C(C=C([NH2+]1)C2=CC=CC3=CC=CC=C32)C)N.[Cl-]

InChI

InChI=1S/C21H25N3O2.ClH/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;/h4-6,8-11,14,23H,3,7,12-13,22H2,1-2H3;1H