4-[(2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[(2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(2-hydroxy-4-oxo-1H-quinolin-3-yl)methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(2-hydroxy-4-oxo-1H-quinolin-3-yl)methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(2-hydroxy-4-oxo-1H-quinolin-3-yl)methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[(2-hydroxy-4-keto-1H-quinolin-3-yl)methyl]piperazin-4-ium-1-carbaldehyde Formula: C15H18N3O3+ MolecularWeight: 288.32172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(NC3=CC=CC=C3C2=O)O)C=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(NC3=CC=CC=C3C2=O)O)C=O

InChI

InChI=1S/C15H17N3O3/c19-10-18-7-5-17(6-8-18)9-12-14(20)11-3-1-2-4-13(11)16-15(12)21/h1-4,10H,5-9H2,(H2,16,20,21)/p+1