5-(phenylsulfanylmethyl)-7-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-olate

Systemtic Name: 5-(phenylsulfanylmethyl)-7-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-olate Openeye Name: 5-(phenylsulfanylmethyl)-7-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-olate CAS Name: 5-[(phenylthio)methyl]-7-(1-pyrrolidin-1-iumylmethyl)-8-quinolinolate IUPAC Name: 5-(phenylsulfanylmethyl)-7-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-olate Traditional Name: 5-[(phenylthio)methyl]-7-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-olate Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C3=C(C=CC=N3)C(=C2)CSC4=CC=CC=C4)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C3=C(C=CC=N3)C(=C2)CSC4=CC=CC=C4)[O-]

InChI

InChI=1S/C21H22N2OS/c24-21-16(14-23-11-4-5-12-23)13-17(19-9-6-10-22-20(19)21)15-25-18-7-2-1-3-8-18/h1-3,6-10,13,24H,4-5,11-12,14-15H2