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

Systemtic Name: 7-[(S)-[4-(phenylmethyl)piperazin-1-ium-1-yl]-pyridin-2-yl-methyl]quinolin-8-olate Openeye Name: 7-[(S)-(4-benzylpiperazin-1-ium-1-yl)-(2-pyridyl)methyl]quinolin-8-olate CAS Name: 7-[(S)-[4-(phenylmethyl)-1-piperazin-1-iumyl]-(2-pyridinyl)methyl]-8-quinolinolate IUPAC Name: 7-[(S)-(4-benzylpiperazin-1-ium-1-yl)-pyridin-2-ylmethyl]quinolin-8-olate Traditional Name: 7-[(S)-(4-benzylpiperazin-1-ium-1-yl)-(2-pyridyl)methyl]quinolin-8-olate Formula: C26H26N4O MolecularWeight: 410.51084

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](C2=C(C3=C(C=CC=N3)C=C2)[O-])C4=CC=CC=N4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O/c31-26-22(12-11-21-9-6-14-28-24(21)26)25(23-10-4-5-13-27-23)30-17-15-29(16-18-30)19-20-7-2-1-3-8-20/h1-14,25,31H,15-19H2/t25-/m0/s1