piperazin-4-ium-1-carbaldehyde; quinoline-8-sulfonate

Systemtic Name: piperazin-4-ium-1-carbaldehyde; quinoline-8-sulfonate Openeye Name: piperazin-4-ium-1-carbaldehyde; quinoline-8-sulfonate CAS Name: 1-piperazin-4-iumcarboxaldehyde; 8-quinolinesulfonate IUPAC Name: piperazin-4-ium-1-carbaldehyde; quinoline-8-sulfonate Traditional Name: piperazin-4-ium-1-carbaldehyde; quinoline-8-sulfonate Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C=O.C1=CC2=C(C(=C1)S(=O)(=O)[O-])N=CC=C2

Isomeric SMILES

C1CN(CC[NH2+]1)C=O.C1=CC2=C(C(=C1)S(=O)(=O)[O-])N=CC=C2

InChI

InChI=1S/C9H7NO3S.C5H10N2O/c11-14(12,13)8-5-1-3-7-4-2-6-10-9(7)8;8-5-7-3-1-6-2-4-7/h1-6H,(H,11,12,13);5-6H,1-4H2