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

Systemtic Name: 7-[(S)-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-pyridin-2-yl-methyl]quinolin-8-olate Openeye Name: 7-[(S)-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-(2-pyridyl)methyl]quinolin-8-olate CAS Name: 7-[(S)-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-(2-pyridinyl)methyl]-8-quinolinolate IUPAC Name: 7-[(S)-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-pyridin-2-ylmethyl]quinolin-8-olate Traditional Name: 7-[(S)-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-(2-pyridyl)methyl]quinolin-8-olate Formula: C21H24N4O2 MolecularWeight: 364.44086

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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=CC=N4)CCO

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](C2=C(C3=C(C=CC=N3)C=C2)[O-])C4=CC=CC=N4)CCO

InChI

InChI=1S/C21H24N4O2/c26-15-14-24-10-12-25(13-11-24)20(18-5-1-2-8-22-18)17-7-6-16-4-3-9-23-19(16)21(17)27/h1-9,20,26-27H,10-15H2/t20-/m0/s1