2-(6-oxidanylidene-4-piperazin-4-ium-1-yl-pyridazin-1-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]ethanamide

Systemtic Name: 2-(6-oxidanylidene-4-piperazin-4-ium-1-yl-pyridazin-1-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]ethanamide Openeye Name: 2-(6-oxo-4-piperazin-4-ium-1-yl-pyridazin-1-yl)-N-[3-[(3S)-tetrahydrofuran-3-yl]propyl]acetamide CAS Name: N-[3-[(3S)-3-oxolanyl]propyl]-2-[6-oxo-4-(1-piperazin-4-iumyl)-1-pyridazinyl]acetamide IUPAC Name: N-[3-[(3S)-oxolan-3-yl]propyl]-2-(6-oxo-4-piperazin-4-ium-1-ylpyridazin-1-yl)acetamide Traditional Name: 2-(6-keto-4-piperazin-4-ium-1-yl-pyridazin-1-yl)-N-[3-[(3S)-tetrahydrofuran-3-yl]propyl]acetamide Formula: C17H28N5O3+ MolecularWeight: 350.43592

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1CCCNC(=O)CN2C(=O)C=C(C=N2)N3CC[NH2+]CC3

Isomeric SMILES

C1COC[C@H]1CCCNC(=O)CN2C(=O)C=C(C=N2)N3CC[NH2+]CC3

InChI

InChI=1S/C17H27N5O3/c23-16(19-4-1-2-14-3-9-25-13-14)12-22-17(24)10-15(11-20-22)21-7-5-18-6-8-21/h10-11,14,18H,1-9,12-13H2,(H,19,23)/p+1/t14-/m0/s1