7-[(S)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-pyridin-2-yl-methyl]quinolin-8-ol

Systemtic Name: 7-[(S)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-pyridin-2-yl-methyl]quinolin-8-ol Openeye Name: 7-[(S)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-(2-pyridyl)methyl]quinolin-8-ol CAS Name: 7-[(S)-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]-(2-pyridinyl)methyl]-8-quinolinol IUPAC Name: 7-[(S)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol Traditional Name: 7-[(S)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-(2-pyridyl)methyl]quinolin-8-ol Formula: C21H26N4O2+2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCO)C(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CC=N4

Isomeric SMILES

C1C[NH+](CC[NH+]1CCO)[C@@H](C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CC=N4

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/p+2/t20-/m0/s1