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

Systemtic Name: 5-chloranyl-7-[(S)-(4-ethylpiperazin-1-ium-1-yl)-pyridin-2-yl-methyl]quinolin-8-olate Openeye Name: 5-chloro-7-[(S)-(4-ethylpiperazin-1-ium-1-yl)-(2-pyridyl)methyl]quinolin-8-olate CAS Name: 5-chloro-7-[(S)-(4-ethyl-1-piperazin-1-iumyl)-(2-pyridinyl)methyl]-8-quinolinolate IUPAC Name: 5-chloro-7-[(S)-(4-ethylpiperazin-1-ium-1-yl)-pyridin-2-ylmethyl]quinolin-8-olate Traditional Name: 5-chloro-7-[(S)-(4-ethylpiperazin-1-ium-1-yl)-(2-pyridyl)methyl]quinolin-8-olate Formula: C21H23ClN4O MolecularWeight: 382.88652

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C(C2=CC=CC=N2)C3=CC(=C4C=CC=NC4=C3[O-])Cl

Isomeric SMILES

CCN1CC[NH+](CC1)[C@H](C2=CC=CC=N2)C3=CC(=C4C=CC=NC4=C3[O-])Cl

InChI

InChI=1S/C21H23ClN4O/c1-2-25-10-12-26(13-11-25)20(18-7-3-4-8-23-18)16-14-17(22)15-6-5-9-24-19(15)21(16)27/h3-9,14,20,27H,2,10-13H2,1H3/t20-/m0/s1