N-cyclopropyl-2-[4-[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(1-benzyl-6-oxo-pyridazine-3-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[4-[oxo-[6-oxo-1-(phenylmethyl)-3-pyridazinyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(1-benzyl-6-oxopyridazine-3-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-(1-benzyl-6-keto-pyridazine-3-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C21H26N5O3+ MolecularWeight: 396.46284

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O3/c27-19(22-17-6-7-17)15-24-10-12-25(13-11-24)21(29)18-8-9-20(28)26(23-18)14-16-4-2-1-3-5-16/h1-5,8-9,17H,6-7,10-15H2,(H,22,27)/p+1