7-[(S)-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-thiophen-2-yl-methyl]quinolin-8-olate

Systemtic Name: 7-[(S)-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-thiophen-2-yl-methyl]quinolin-8-olate Openeye Name: 7-[(S)-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-(2-thienyl)methyl]quinolin-8-olate CAS Name: 7-[(S)-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-thiophen-2-ylmethyl]-8-quinolinolate IUPAC Name: 7-[(S)-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-thiophen-2-ylmethyl]quinolin-8-olate Traditional Name: 7-[(S)-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-(2-thienyl)methyl]quinolin-8-olate Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=C(C3=C(C=CC=N3)C=C2)[O-])C4=CC=CS4)CCO

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](C2=C(C3=C(C=CC=N3)C=C2)[O-])C4=CC=CS4)CCO

InChI

InChI=1S/C20H23N3O2S/c24-13-12-22-8-10-23(11-9-22)19(17-4-2-14-26-17)16-6-5-15-3-1-7-21-18(15)20(16)25/h1-7,14,19,24-25H,8-13H2/t19-/m0/s1