(3S)-3-(4-ethylpiperazin-1-ium-1-yl)-5-oxidanylidene-3,4-dihydropyrrol-2-olate

Systemtic Name: (3S)-3-(4-ethylpiperazin-1-ium-1-yl)-5-oxidanylidene-3,4-dihydropyrrol-2-olate Openeye Name: (3S)-3-(4-ethylpiperazin-1-ium-1-yl)-5-oxo-3,4-dihydropyrrol-2-olate CAS Name: (3S)-3-(4-ethyl-1-piperazin-1-iumyl)-5-oxo-3,4-dihydropyrrol-2-olate IUPAC Name: (3S)-3-(4-ethylpiperazin-1-ium-1-yl)-5-oxo-3,4-dihydropyrrol-2-olate Traditional Name: (3S)-3-(4-ethylpiperazin-1-ium-1-yl)-5-keto-1-pyrrolin-2-olate Formula: C10H17N3O2 MolecularWeight: 211.26088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C2CC(=O)N=C2[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)[C@H]2CC(=O)N=C2[O-]

InChI

InChI=1S/C10H17N3O2/c1-2-12-3-5-13(6-4-12)8-7-9(14)11-10(8)15/h8H,2-7H2,1H3,(H,11,14,15)/t8-/m0/s1