(3S)-3-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-5-oxidanylidene-3,4-dihydropyrrol-2-olate

Systemtic Name: (3S)-3-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-5-oxidanylidene-3,4-dihydropyrrol-2-olate Openeye Name: (3S)-3-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-5-oxo-3,4-dihydropyrrol-2-olate CAS Name: (3S)-3-[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]-5-oxo-3,4-dihydropyrrol-2-olate IUPAC Name: (3S)-3-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-5-oxo-3,4-dihydropyrrol-2-olate Traditional Name: (3S)-3-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-5-keto-1-pyrrolin-2-olate Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3O2)C4CC(=O)N=C4[O-]

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3O2)[C@H]4CC(=O)N=C4[O-]

InChI

InChI=1S/C16H17N3O3/c20-14-9-12(15(21)18-14)19-7-5-10(6-8-19)16-17-11-3-1-2-4-13(11)22-16/h1-4,10,12H,5-9H2,(H,18,20,21)/t12-/m0/s1