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

Systemtic Name: 5-chloranyl-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]-5-chloro-quinolin-8-olate CAS Name: 5-chloro-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]-5-chloroquinolin-8-olate Traditional Name: 7-[(S)-(4-benzylpiperazin-1-ium-1-yl)-(2-pyridyl)methyl]-5-chloro-quinolin-8-olate Formula: C26H25ClN4O MolecularWeight: 444.9559

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=N2)C3=CC(=C4C=CC=NC4=C3[O-])Cl)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=N2)C3=CC(=C4C=CC=NC4=C3[O-])Cl)CC5=CC=CC=C5

InChI

InChI=1S/C26H25ClN4O/c27-22-17-21(26(32)24-20(22)9-6-12-29-24)25(23-10-4-5-11-28-23)31-15-13-30(14-16-31)18-19-7-2-1-3-8-19/h1-12,17,25,32H,13-16,18H2/t25-/m0/s1