4-oxidanylidene-4-[4-(6-phenylazanylpyridazin-2-ium-3-yl)piperazin-1-yl]butanoate

Systemtic Name: 4-oxidanylidene-4-[4-(6-phenylazanylpyridazin-2-ium-3-yl)piperazin-1-yl]butanoate Openeye Name: 4-[4-(6-anilinopyridazin-2-ium-3-yl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(6-anilino-3-pyridazin-2-iumyl)-1-piperazinyl]-4-oxobutanoate IUPAC Name: 4-[4-(6-anilinopyridazin-2-ium-3-yl)piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(6-anilinopyridazin-2-ium-3-yl)piperazino]-4-keto-butyrate Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]N=C(C=C2)NC3=CC=CC=C3)C(=O)CCC(=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=[NH+]N=C(C=C2)NC3=CC=CC=C3)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C18H21N5O3/c24-17(8-9-18(25)26)23-12-10-22(11-13-23)16-7-6-15(20-21-16)19-14-4-2-1-3-5-14/h1-7H,8-13H2,(H,19,20)(H,25,26)