2-[4-(4-nitro-3-quinolin-8-ylsulfanyl-phenyl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(4-nitro-3-quinolin-8-ylsulfanyl-phenyl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[4-nitro-3-(8-quinolylsulfanyl)phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[4-nitro-3-(8-quinolinylthio)phenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(4-nitro-3-quinolin-8-ylsulfanylphenyl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[4-nitro-3-(8-quinolylthio)phenyl]piperazin-1-ium-1-yl]ethanol Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H22N4O3S/c26-14-13-23-9-11-24(12-10-23)17-6-7-18(25(27)28)20(15-17)29-19-5-1-3-16-4-2-8-22-21(16)19/h1-8,15,26H,9-14H2/p+1